SMIRKS
[H]OC(=O)[C@@]1([H])N([C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:41])[N:3]([H:21])[H:22])[H:40])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([N:9]([H:23])[H:24])[H:33])=[O:11])C([H])([H])C([H])([H])C1([H])[H].[H][O:20][H:42]>>[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[O:20][H:42])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[H:41]
Derived Operators
EVODEX.1-F255 - Elemental Balance
| O | -2 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M307 - Mass Difference
-115.06337
EVODEX.1-E983 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:10](=[#8:11])-[#6:12].[#8:1](-[H:24])-[H]>>[#8:1](-[#6:10](=[#8:11])-[#6:12])-[H:24]
EVODEX.1-C586 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:55])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H].[H]-[#8:65]>>[#6:55]-[#8:65]
EVODEX.1-N742 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:55](-[#6@@:48])=[#8:56])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H].[H]-[#8:65]-[H:128]>>[#6:55](-[#6@@:48])(=[#8:56])-[#8:65]-[H:128]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R5556
[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[N:12]1[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]([H:29])([H:30])[C@:16]1([C:17](=[O:18])[O:19][H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[H:41].[H][O:20][H:42]>>[H][N:12]1[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]([H:29])([H:30])[C@:16]1([C:17](=[O:18])[O:19][H:31])[H:32].[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[O:20][H:42])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[H:41]