SMIRKS
[H]N([C@]1([H])C(=O)OC([H])([H])C1([H])[H])[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])=[O:7].[H][O:15][H:33]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:15][H:33])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]
Derived Operators
EVODEX.1-F310 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M85 - Mass Difference
-101.04771
EVODEX.1-E1083 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6]-1=[#8])-[H].[#8:17](-[H:35])-[H]>>[#6:7]-[#6:8](=[#8:9])-[#8:17]-[H:35]
EVODEX.1-C515 - Reaction Operator C
[H]-[#7](-[#6@]1(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6:4].[H]-[#8:13]>>[#6:4]-[#8:13]
EVODEX.1-N651 - Reaction Operator N
[H]-[#7](-[#6@]1(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]-[H:27]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]-[H:27]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R4989
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C@@:9]1([H:16])[C:10]([H:17])([H:18])[C:11]([H:19])([H:20])[O:12][C:13]1=[O:14])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:15][H:33]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:15][H:33])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][N:8]([C@@:9]1([H:16])[C:10]([H:17])([H:18])[C:11]([H:19])([H:20])[O:12][C:13]1=[O:14])[H:21]