SMIRKS
[C:1](#[C:2][C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57].[H]OP(=O)(O[H])OP(=O)(O[H])O[P:28]([O:27][C:26]([C@@:25]1([H:67])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:58]):[N:15]:[C:14]([N:13]([H:72])[H:73]):[C:19]:3:[N:20]:[C:21]:2[H:59])([H:60])[C@@:42]([O:43][H:70])([H:71])[C@@:40]1([O:41][H:68])[H:69])([H:65])[H:66])(=[O:29])[O:30][H:61].[H][O:44][H:74]>>[C:1](#[C:2][C:3]([C:4]([S+:5]([C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:26]([C@@:25]1([H:67])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:58]):[N:15]:[C:14]([N:13]([H:72])[H:73]):[C:19]:3:[N:20]:[C:21]:2[H:59])([H:60])[C@@:42]([O:43][H:70])([H:71])[C@@:40]1([O:41][H:68])[H:69])([H:65])[H:66])([H:53])[H:54])([H:55])[H:56])[H:57].[H][O:27][P:28](=[O:29])([O:30][H:61])[O:44][H:74]
Derived Operators
EVODEX.1-F218 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -3 |
EVODEX.1-M286 - Mass Difference
-176.93539
EVODEX.1-E927 - Reaction Operator E
[#6:3]-[#16:4]-[#6:5].[#6:25](-[#6@@:24]-[#6@:39](-[#8:40])(-[H:65])-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:61])-[H:62].[#8:43](-[H:70])-[H]>>[#6:3]-[#16:4](-[#6:5])-[#6:25](-[#6@@:24]-[#6@:39](-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8:40])-[H:65])(-[H:61])-[H:62].[#8:26](-[#15:27](=[#8:28])(-[#8:29])-[#8:43]-[H:70])-[H]
EVODEX.1-C414 - Reaction Operator C
[#16:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:29]-[#8:28]-[#6:27].[H]-[#8:45]>>[#16:6]-[#6:27].[H]-[#8:28]-[#15:29]-[#8:45]
EVODEX.1-N495 - Reaction Operator N
[#6:5]-[#16:6]-[#6:7].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:29](-[#8:28]-[#6:27](-[#6@@:26])(-[H:70])-[H:71])(=[#8:30])-[#8:31].[H]-[#8:45]-[H:79]>>[#6:5]-[#16:6](-[#6:7])-[#6:27](-[#6@@:26])(-[H:70])-[H:71].[H]-[#8:28]-[#15:29](=[#8:30])(-[#8:31])-[#8:45]-[H:79]
EVODEX.1-Em528 - Reaction Operator Em
[#6:5]-[#16:6]-[#6:7].[#15]-[#8]-[#15:29](-[#8:28]-[#6:27]-[#6:26])(=[#8:30])-[#8:31].[H]-[#8:45]>>[#6:5]-[#16:6](-[#6:7])-[#6:27]-[#6:26].[H]-[#8:28]-[#15:29](=[#8:30])(-[#8:31])-[#8:45]
EVODEX.1-Cm246 - Reaction Operator Cm
[#16:6].[#8]-[#15:29]-[#8:28]-[#6:27].[H]-[#8:45]>>[#16:6]-[#6:27].[H]-[#8:28]-[#15:29]-[#8:45]
EVODEX.1-Nm479 - Reaction Operator Nm
[#6:5]-[#16:6]-[#6:7].[#15]-[#8]-[#15:29](-[#8:28]-[#6:27]-[#6:26])(=[#8:30])-[#8:31].[H]-[#8:45]>>[#6:5]-[#16:6](-[#6:7])-[#6:27]-[#6:26].[H]-[#8:28]-[#15:29](=[#8:30])(-[#8:31])-[#8:45]
Source Full Reactions
EVODEX.1-R3483
[C:1](#[C:2][C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57].[HH].[N:13]([C:14]1:[N:15]:[C:16]([H:58]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:59]):[N:22]:2[C@:23]1([H:60])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:61])[O:31][P:32](=[O:33])([O:34][H:62])[O:35][P:36](=[O:37])([O:38][H:63])[O:39][H:64])([H:65])[H:66])([H:67])[C@:40]([O:41][H:68])([H:69])[C@:42]1([O:43][H:70])[H:71])([H:72])[H:73].[H][O:44][H:74]>>[C:1](#[C:2][C:3]([C:4]([S+:5]([C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:26]([C@@:25]1([H:67])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:58]):[N:15]:[C:14]([N:13]([H:72])[H:73]):[C:19]:3:[N:20]:[C:21]:2[H:59])([H:60])[C@@:42]([O:43][H:70])([H:71])[C@@:40]1([O:41][H:68])[H:69])([H:65])[H:66])([H:53])[H:54])([H:55])[H:56])[H:57].[H][O:27][P:28](=[O:29])([O:30][H:61])[O:44][H:74].[H][O:31][P:32](=[O:33])([O:34][H:62])[O:35][P:36](=[O:37])([O:38][H:63])[O:39][H:64]