SMIRKS
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:42])[H:43])([C:7](=[O:8])[O:9][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])([H:51])[H:52].[H][O:41][H:69]>>[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+:2]([C:1]([H:50])([H:51])[H:52])[C:3]([C:4]([C@:5]([N:6]([H:42])[H:43])([C:7](=[O:8])[O:9][H:44])[H:45])([H:46])[H:47])([H:48])[H:49].[H]OP(=O)(O[H])[O:41][H:69]
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-R3481
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:42])[H:43])([C:7](=[O:8])[O:9][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])([H:51])[H:52].[HH].[N:10]([C:11]1:[N:12]:[C:13]([H:53]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:54]):[N:19]:2[C@:20]1([H:55])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:56])[O:28][P:29](=[O:30])([O:31][H:57])[O:32][P:33](=[O:34])([O:35][H:58])[O:36][H:59])([H:60])[H:61])([H:62])[C@:37]([O:38][H:63])([H:64])[C@:39]1([O:40][H:65])[H:66])([H:67])[H:68].[H][O:41][H:69]>>[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:42])[H:43])([C:7](=[O:8])[O:9][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])[C:23]([C@@:22]1([H:62])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:53]):[N:12]:[C:11]([N:10]([H:67])[H:68]):[C:16]:3:[N:17]:[C:18]:2[H:54])([H:55])[C@@:39]([O:40][H:65])([H:66])[C@@:37]1([O:38][H:63])[H:64])([H:60])[H:61])([H:50])([H:51])[H:52].[H][O:24][P:25](=[O:26])([O:27][H:56])[O:41][H:69].[H][O:28][P:29](=[O:30])([O:31][H:57])[O:32][P:33](=[O:34])([O:35][H:58])[O:36][H:59]