SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:14]([C:13]([H])([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])[H:109])=[O:15])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:65]=[C:66]([O:67][H:136])[C:68]([C:69](=[O:70])[C:71](=[O:72])[O:73][H:137])([H:138])[H:139]>>[H]O[C:14]([C@@:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C@:69]([C:68]([C:66](=[O:65])[O:67][H:136])([H:138])[H:139])([O:70][H])[C:71](=[O:72])[O:73][H:137])[H:109])=[O:15]
Derived Operators
EVODEX.1-F300 - Elemental Balance
| P | -3 |
| O | -15 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -34 |
EVODEX.1-M51 - Mass Difference
-749.10492
EVODEX.1-E1070 - Reaction Operator E
[#6:3]-[#6:4](-[#6:5](=[#8:6])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H:100])-[H].[#6:59]-[#6:60](=[#8:61])-[#6:62]=[#8:63]>>[#6:3]-[#6:4](-[#6:5](=[#8:6])-[#8]-[H])(-[#6:60](-[#6:59])(-[#8:61]-[H])-[#6:62]=[#8:63])-[H:100]
EVODEX.1-C121 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:5]-[#6:4]-[H])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#6:60]=[#8:61]>>[H]-[#8]-[#6:5]-[#6:4]-[#6:60]-[#8:61]-[H]
EVODEX.1-N438 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:5](-[#6:4](-[H])(-[#6:3])-[H:100])=[#8:6])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#6:59]-[#6:60](=[#8:61])-[#6:62]>>[H]-[#8]-[#6:5](-[#6:4](-[#6:3])(-[#6:60](-[#6:59])(-[#8:61]-[H])-[#6:62])-[H:100])=[#8:6]
EVODEX.1-Em485 - Reaction Operator Em
[#6]-[#16]-[#6:5](-[#6:4](-[H])-[#6:3])=[#8:6].[#6:59]-[#6:60](=[#8:61])-[#6:62]=[#8:63]>>[H]-[#8]-[#6:5](-[#6:4](-[#6:3])-[#6:60](-[#6:59])(-[#8:61]-[H])-[#6:62]=[#8:63])=[#8:6]
EVODEX.1-Cm145 - Reaction Operator Cm
[#16]-[#6:5]-[#6:4]-[H].[#6:60]=[#8:61]>>[#8]-[#6:5]-[#6:4]-[#6:60]-[#8:61]-[H]
EVODEX.1-Nm436 - Reaction Operator Nm
[#6]-[#16]-[#6:5](-[#6:4](-[H])-[#6:3])=[#8:6].[#6:59]-[#6:60](=[#8:61])-[#6:62]>>[H]-[#8]-[#6:5](-[#6:4](-[#6:3])-[#6:60](-[#6:59])(-[#8:61]-[H])-[#6:62])=[#8:6]
Source Full Reactions
EVODEX.1-R2943
[H][C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C:14](=[O:15])[S:16][C:17]([C:18]([N:19]([C:20](=[O:21])[C:22]([C:23]([N:24]([C:25](=[O:26])[C@:27]([O:28][H:74])([C:29]([C:30]([H:75])([H:76])[H:77])([C:31]([H:78])([H:79])[H:80])[C:32]([O:33][P:34](=[O:35])([O:36][H:81])[O:37][P:38](=[O:39])([O:40][H:82])[O:41][C:42]([C@@:43]1([H:83])[O:44][C@:45]([N:46]2:[C:47]([H:84]):[N:48]:[C:49]3:[C:50]([N:51]([H:85])[H:86]):[N:52]:[C:53]([H:87]):[N:54]:[C:55]:2:3)([H:88])[C@@:56]([O:57][H:89])([H:90])[C@@:58]1([O:59][P:60](=[O:61])([O:62][H:91])[O:63][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])[H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])[H:106])([H:107])[H:108])[H:109].[O:65]=[C:66]([O:67][H:136])[C:68]([C:69](=[O:70])[C:71](=[O:72])[O:73][H:137])([H:138])[H:139].[H][O:64][H:140]>>[H][O:70][C@:69]([C@:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C:14](=[O:15])[O:64][H:140])[H:109])([C:68]([C:66](=[O:65])[O:67][H:136])([H:138])[H:139])[C:71](=[O:72])[O:73][H:137].[H][S:16][C:17]([C:18]([N:19]([C:20](=[O:21])[C:22]([C:23]([N:24]([C:25](=[O:26])[C@:27]([O:28][H:74])([C:29]([C:30]([H:75])([H:76])[H:77])([C:31]([H:78])([H:79])[H:80])[C:32]([O:33][P:34](=[O:35])([O:36][H:81])[O:37][P:38](=[O:39])([O:40][H:82])[O:41][C:42]([C@@:43]1([H:83])[O:44][C@:45]([N:46]2:[C:47]([H:84]):[N:48]:[C:49]3:[C:50]([N:51]([H:85])[H:86]):[N:52]:[C:53]([H:87]):[N:54]:[C:55]:2:3)([H:88])[C@@:56]([O:57][H:89])([H:90])[C@@:58]1([O:59][P:60](=[O:61])([O:62][H:91])[O:63][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])[H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])[H:106])([H:107])[H:108]