SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:10]([H:57])([H:58])[H:59].[H][N:2]([C:1]([H:67])([H:68])[H:69])[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:60])[O:9][H:61])([H:62])[H:63])([H:64])[H:65]>>[C:1]([N:2]([C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:60])[O:9][H:61])([H:62])[H:63])([H:64])[H:65])[C:10]([H:57])([H:58])[H:59])([H:67])([H:68])[H:69]
Derived Operators
EVODEX.1-F289 - Elemental Balance
| O | -5 |
| C | -14 |
| S | -1 |
| N | -6 |
| H | -21 |
EVODEX.1-M38 - Mass Difference
-385.12963
EVODEX.1-E1053 - Reaction Operator E
[#6:18]-[#7:19](-[H])-[#6@@:20].[#6:29](-[#16](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#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]-[H])-[H])(-[H])-[H])(-[H:104])(-[H:105])-[H:106]>>[#6:18]-[#7:19](-[#6:29](-[H:104])(-[H:105])-[H:106])-[#6@@:20]
EVODEX.1-C156 - Reaction Operator C
[H]-[#7:2].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:9]>>[#7:2]-[#6:9]
EVODEX.1-N1083 - Reaction Operator N
[H]-[#7:2](-[#6:1])-[#6:3].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:9](-[H:71])(-[H:72])-[H:73]>>[#6:1]-[#7:2](-[#6:3])-[#6:9](-[H:71])(-[H:72])-[H:73]
EVODEX.1-Em394 - Reaction Operator Em
[H]-[#7:19](-[#6:18])-[#6:20].[#6]-[#16](-[#6])-[#6:29]>>[#6:18]-[#7:19](-[#6:29])-[#6:20]
EVODEX.1-Nm354 - Reaction Operator Nm
[H]-[#7:19](-[#6:18])-[#6:20].[#6]-[#16](-[#6])-[#6:29]>>[#6:18]-[#7:19](-[#6:29])-[#6:20]
Source Full Reactions
EVODEX.1-R1202
[C:10]([S+:11]([C:12]([C:13]([C@:14]([N:15]([H:37])[H:38])([C:16](=[O:17])[O:18][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:19]([C@@:20]1([H:45])[O:21][C@:22]([N:23]2:[C:24]([H:46]):[N:25]:[C:26]3:[C:27]([N:28]([H:47])[H:48]):[N:29]:[C:30]([H:49]):[N:31]:[C:32]:2:3)([H:50])[C@@:33]([O:34][H:51])([H:52])[C@@:35]1([O:36][H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][N:2]([C:1]([H:67])([H:68])[H:69])[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:60])[O:9][H:61])([H:62])[H:63])([H:64])[H:65]>>[C:1]([N:2]([C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:60])[O:9][H:61])([H:62])[H:63])([H:64])[H:65])[C:10]([H:57])([H:58])[H:59])([H:67])([H:68])[H:69].[HH].[S:11]([C:12]([C:13]([C@:14]([N:15]([H:37])[H:38])([C:16](=[O:17])[O:18][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:19]([C@@:20]1([H:45])[O:21][C@:22]([N:23]2:[C:24]([H:46]):[N:25]:[C:26]3:[C:27]([N:28]([H:47])[H:48]):[N:29]:[C:30]([H:49]):[N:31]:[C:32]:2:3)([H:50])[C@@:33]([O:34][H:51])([H:52])[C@@:35]1([O:36][H:53])[H:54])([H:55])[H:56]