SMIRKS
[C:1](=[C:2]([C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[H:54])([H:55])[H:56].[H][O:43][H:73]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])[S+:4]([C:3]([C:2](=[C:1]([H:55])[H:56])[H:54])([H:52])[H:53])[C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51].[H]OP(=O)(O[H])[O:43][H:73]
Derived Operators
EVODEX.1-F219 - Elemental Balance
| P | 1 |
| C | 10 |
| O | 6 |
| N | 5 |
| H | 13 |
EVODEX.1-M287 - Mass Difference
330.06049
EVODEX.1-E928 - Reaction Operator E
[#6:40]-[#16:41]-[#6:42].[#8:32](-[H:79])-[H]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#16:41](-[#6:40])-[#6:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8](-[#15](=[#8])(-[#8]-[H])-[#8:32]-[H:79])-[H]
EVODEX.1-C416 - Reaction Operator C
[#16:41].[H]-[#8:32]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#16:41].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:32]
EVODEX.1-N497 - Reaction Operator N
[#6:40]-[#16:41]-[#6:42].[H]-[#8:32]-[H:79]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#16:41](-[#6:40])-[#6:42].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:32]-[H:79]
EVODEX.1-Em530 - Reaction Operator Em
[#6:40]-[#16:41]-[#6:42].[H]-[#8:32]>>[#6]-[#6](-[H])(-[H])-[#16:41](-[#6:40])-[#6:42].[#8]-[#15](=[#8])(-[#8])-[#8:32]
EVODEX.1-Nm481 - Reaction Operator Nm
[#6:40]-[#16:41]-[#6:42].[H]-[#8:32]>>[#6]-[#6](-[H])(-[H])-[#16:41](-[#6:40])-[#6:42].[#8]-[#15](=[#8])(-[#8])-[#8:32]
Source Full Reactions
EVODEX.1-R3486
[C:1](=[C:2]([C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[H:54])([H:55])[H:56].[HH].[N:12]([C:13]1:[N:14]:[C:15]([H:57]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:58]):[N:21]:2[C@:22]1([H:59])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:60])[O:30][P:31](=[O:32])([O:33][H:61])[O:34][P:35](=[O:36])([O:37][H:62])[O:38][H:63])([H:64])[H:65])([H:66])[C@:39]([O:40][H:67])([H:68])[C@:41]1([O:42][H:69])[H:70])([H:71])[H:72].[H][O:43][H:73]>>[C:1](=[C:2]([C:3]([S+:4]([C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[C:25]([C@@:24]1([H:66])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:57]):[N:14]:[C:13]([N:12]([H:71])[H:72]):[C:18]:3:[N:19]:[C:20]:2[H:58])([H:59])[C@@:41]([O:42][H:69])([H:70])[C@@:39]1([O:40][H:67])[H:68])([H:64])[H:65])([H:52])[H:53])[H:54])([H:55])[H:56].[H][O:26][P:27](=[O:28])([O:29][H:60])[O:43][H:73].[H][O:30][P:31](=[O:32])([O:33][H:61])[O:34][P:35](=[O:36])([O:37][H:62])[O:38][H:63]