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:4]([C:2](=[C:1]([H:124])[H:125])[C:3]([H:86])([H:87])[H:88])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]O[C:4]([C:2](=[C:1]([H:124])[H:125])[C:3]([H:86])([H:87])[H:88])=[O:5]
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-C159 - 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]-[#6:4])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#6:4]
EVODEX.1-N49 - 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]-[#6:4](-[#6:2])=[#8:5])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#6:4](-[#6:2])=[#8:5]
EVODEX.1-Em577 - Reaction Operator Em
[#6]-[#16]-[#6:4](-[#6:2]=[#6:1])=[#8:5]>>[H]-[#8]-[#6:4](-[#6:2]=[#6:1])=[#8:5]
EVODEX.1-Nm176 - Reaction Operator Nm
[#6]-[#16]-[#6:4](-[#6:2])=[#8:5]>>[H]-[#8]-[#6:4](-[#6:2])=[#8:5]
Source Full Reactions
EVODEX.1-R7228
[C:1](=[C:2]([C:3]([H:86])([H:87])[H:88])[C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([C:15](=[O:16])[C@:17]([O:18][H:89])([C:19]([C:20]([H:90])([H:91])[H:92])([C:21]([H:93])([H:94])[H:95])[C:22]([O:23][P:24](=[O:25])([O:26][H:96])[O:27][P:28](=[O:29])([O:30][H:97])[O:31][C:32]([C@@:33]1([H:98])[O:34][C@:35]([N:36]2:[C:37]([H:99]):[N:38]:[C:39]3:[C:40]([N:41]([H:100])[H:101]):[N:42]:[C:43]([H:102]):[N:44]:[C:45]:2:3)([H:103])[C@@:46]([O:47][H:104])([H:105])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:106])[O:53][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125].[N:54]([C:55]1:[N:56]:[C:57]([H:126]):[N:58]:[C:59]2:[C:60]:1:[N:61]:[C:62]([H:127]):[N:63]:2[C@:64]1([H:128])[O:65][C@@:66]([C:67]([O:68][P:69](=[O:70])([O:71][H:129])[O:72][H:130])([H:131])[H:132])([H:133])[C@:73]([O:74][H:134])([H:135])[C@:75]1([O:76][H:136])[H:137])([H:138])[H:139].[H][O:79][P:78](=[O:77])([O:80][H:141])[O:81][P:82](=[O:83])([O:84][H:142])[O:85][H:143]>>[C:1](=[C:2]([C:3]([H:86])([H:87])[H:88])[C:4](=[O:5])[O:71][H:129])([H:124])[H:125].[N:54]([C:55]1:[N:56]:[C:57]([H:126]):[N:58]:[C:59]2:[C:60]:1:[N:61]:[C:62]([H:127]):[N:63]:2[C@:64]1([H:128])[O:65][C@@:66]([C:67]([O:68][P:69](=[O:70])([O:72][H:130])[O:79][P:78](=[O:77])([O:80][H:141])[O:81][P:82](=[O:83])([O:84][H:142])[O:85][H:143])([H:131])[H:132])([H:133])[C@:73]([O:74][H:134])([H:135])[C@:75]1([O:76][H:136])[H:137])([H:138])[H:139].[H][S:6][C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([C:15](=[O:16])[C@:17]([O:18][H:89])([C:19]([C:20]([H:90])([H:91])[H:92])([C:21]([H:93])([H:94])[H:95])[C:22]([O:23][P:24](=[O:25])([O:26][H:96])[O:27][P:28](=[O:29])([O:30][H:97])[O:31][C:32]([C@@:33]1([H:98])[O:34][C@:35]([N:36]2:[C:37]([H:99]):[N:38]:[C:39]3:[C:40]([N:41]([H:100])[H:101]):[N:42]:[C:43]([H:102]):[N:44]:[C:45]:2:3)([H:103])[C@@:46]([O:47][H:104])([H:105])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:106])[O:53][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123]