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:49](=[O:50])[C:51](=[C:52]([C:53]2:[C:54]([H:96]):[C:55]([H:97]):[C:56]([O:57][H:98]):[C:58]([O:59][H:99]):[C:60]:2[H:100])[H:101])[H:102])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:65][C:64]([C:62](=[O:61])[O:63][H:117])([C:66]([C:67]1:[C:68]([H:119]):[C:69]([H:120]):[C:70]([O:71][H:121]):[C:72]([O:73][H:122]):[C:74]:1[H:123])([H:124])[H:125])[H:126]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:96]):[C:55]([H:97]):[C:56]([O:57][H:98]):[C:58]([O:59][H:99]):[C:60]:1[H:100])[H:101])[H:102])[O:65][C@:64]([C:62](=[O:61])[O:63][H:117])([C:66]([C:67]1:[C:68]([H:119]):[C:69]([H:120]):[C:70]([O:71][H:121]):[C:72]([O:73][H:122]):[C:74]:1[H:123])([H:124])[H:125])[H:126]
Derived Operators
EVODEX.1-F49 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -36 |
EVODEX.1-M7 - Mass Difference
-767.1154799999999
EVODEX.1-C961 - Reaction Operator C
[H]-[#8:23]-[#6@:22].[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]-[#6:41])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#8:23](-[#6@@:22])-[#6:41]
EVODEX.1-N1201 - Reaction Operator N
[H]-[#8:23]-[#6@:22](-[#6:21])(-[#6:24])-[H:96].[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]-[#6:41](-[#6:40])=[#8:42])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#6:21]-[#6@@:22](-[#8:23]-[#6:41](-[#6:40])=[#8:42])(-[#6:24])-[H:96]
EVODEX.1-Em92 - Reaction Operator Em
[#6]-[#16]-[#6:20](-[#6:19]=[#6:18])=[#8:21].[H]-[#8:84]-[#6:83]>>[#6:18]=[#6:19]-[#6:20](=[#8:21])-[#8:84]-[#6:83]
EVODEX.1-Nm40 - Reaction Operator Nm
[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
Source Full Reactions
EVODEX.1-R2050
[C:1]([C:2]([C:3]([H:75])([H:76])[H:77])([C:4]([O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][C:14]([C@@:15]1([H:80])[O:16][C@:17]([N:18]2:[C:19]([H:81]):[N:20]:[C:21]3:[C:22]([N:23]([H:82])[H:83]):[N:24]:[C:25]([H:84]):[N:26]:[C:27]:2:3)([H:85])[C@@:28]([O:29][H:86])([H:87])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:88])[O:35][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])[C@@:36]([O:37][H:95])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:96]):[C:55]([H:97]):[C:56]([O:57][H:98]):[C:58]([O:59][H:99]):[C:60]:1[H:100])[H:101])[H:102])([H:103])[H:104])([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])[H:112])[H:113])([H:114])([H:115])[H:116].[H][O:65][C:64]([C:62](=[O:61])[O:63][H:117])([C:66]([C:67]1:[C:68]([H:119]):[C:69]([H:120]):[C:70]([O:71][H:121]):[C:72]([O:73][H:122]):[C:74]:1[H:123])([H:124])[H:125])[H:126]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:96]):[C:55]([H:97]):[C:56]([O:57][H:98]):[C:58]([O:59][H:99]):[C:60]:1[H:100])[H:101])[H:102])[O:65][C@:64]([C:62](=[O:61])[O:63][H:117])([C:66]([C:67]1:[C:68]([H:119]):[C:69]([H:120]):[C:70]([O:71][H:121]):[C:72]([O:73][H:122]):[C:74]:1[H:123])([H:124])[H:125])[H:126].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:114])([H:115])[H:116])([C:3]([H:75])([H:76])[H:77])[C:4]([O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][C:14]([C@@:15]1([H:80])[O:16][C@:17]([N:18]2:[C:19]([H:81]):[N:20]:[C:21]3:[C:22]([N:23]([H:82])[H:83]):[N:24]:[C:25]([H:84]):[N:26]:[C:27]:2:3)([H:85])[C@@:28]([O:29][H:86])([H:87])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:88])[O:35][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([O:37][H:95])[H:113])=[O:39])[H:112])([H:110])[H:111])([H:108])[H:109])=[O:44])[H:107])([H:105])[H:106])([H:103])[H:104]