SMIRKS
[H]OC(=O)[C@@]1([H])N([C:11]([C@@:2]([N:1]([H:38])[H:39])([C:3]([C:4]2:[C:5]([H:22]):[C:6]([H:23]):[C:7]([O:8][H:24]):[C:9]([H:25]):[C:10]:2[H:26])([H:27])[H:28])[H:37])=[O:12])C([H])([H])C([H])([H])C1([H])[H].[H][O:21][H:40]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([O:8][H:24]):[C:9]([H:25]):[C:10]:1[H:26])([H:27])[H:28])([C:11](=[O:12])[O:21][H:40])[H:37])([H:38])[H:39]
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-R5599
[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([O:8][H:24]):[C:9]([H:25]):[C:10]:1[H:26])([H:27])[H:28])([C:11](=[O:12])[N:13]1[C:14]([H:29])([H:30])[C:15]([H:31])([H:32])[C:16]([H:33])([H:34])[C@:17]1([C:18](=[O:19])[O:20][H:35])[H:36])[H:37])([H:38])[H:39].[H][O:21][H:40]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([O:8][H:24]):[C:9]([H:25]):[C:10]:1[H:26])([H:27])[H:28])([C:11](=[O:12])[O:21][H:40])[H:37])([H:38])[H:39].[H][N:13]1[C:14]([H:29])([H:30])[C:15]([H:31])([H:32])[C:16]([H:33])([H:34])[C@:17]1([C:18](=[O:19])[O:20][H:35])[H:36]