SMIRKS
[N:5]([C@@:6]([C:7]([C:8]([S:9][C:10]([C@:11]([N:12]([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([C:16](=[O:17])[O:18][H:33])[H:34])([H:35])[H:36]>>[H]C([H])([H])C(=O)O[C:10]([C@:11]([N:12]([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])[H:26])([H:27])[H:28].[H][S:9][C:8]([C:7]([C@:6]([N:5]([H:35])[H:36])([C:16](=[O:17])[O:18][H:33])[H:34])([H:31])[H:32])([H:29])[H:30]
Derived Operators
EVODEX.1-F234 - Elemental Balance
| O | 2 |
| C | 2 |
| H | 4 |
EVODEX.1-M75 - Mass Difference
60.02112
EVODEX.1-E955 - Reaction Operator E
[#6:6]-[#16:8]-[#6:9](-[#6:10])(-[H:26])-[H:27]>>[#6](-[#6](=[#8])-[#8]-[#6:9](-[#6:10])(-[H:26])-[H:27])(-[H])(-[H])-[H].[#6:6]-[#16:8]-[H]
EVODEX.1-C1277 - Reaction Operator C
([#16:9]-[#6:10].[#6@@:6])>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:10].([H]-[#16:9].[#6@:6])
EVODEX.1-N1592 - Reaction Operator N
[#7:5]-[#6@@:6](-[#6:7]-[#6:8]-[#16:9]-[#6:10](-[#6@:11])(-[H:27])-[H:28])(-[#6:16])-[H:34]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:10](-[#6@:11])(-[H:27])-[H:28].[H]-[#16:9]-[#6:8]-[#6:7]-[#6@:6](-[#7:5])(-[#6:16])-[H:34]
EVODEX.1-Em518 - Reaction Operator Em
[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6]-[#8]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]
EVODEX.1-Nm469 - Reaction Operator Nm
[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6]-[#8]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]
Source Full Reactions
EVODEX.1-R3315
[H][O:4][C:2]([C:1]([H:20])([H:21])[H:22])=[O:3].[N:5]([C@@:6]([C:7]([C:8]([S:9][C:10]([C@:11]([N:12]([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([C:16](=[O:17])[O:18][H:33])[H:34])([H:35])[H:36]>>[C:1]([C:2](=[O:3])[O:4][C:10]([C@:11]([N:12]([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])[H:26])([H:27])[H:28])([H:20])([H:21])[H:22].[H][S:9][C:8]([C:7]([C@:6]([N:5]([H:35])[H:36])([C:16](=[O:17])[O:18][H:33])[H:34])([H:31])[H:32])([H:29])[H:30]