SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:4]([C:3]([C:2]([N:1]([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])=[O:5])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H].[H][O:18][H:35]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[O:18][H:35])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34]
Derived Operators
EVODEX.1-F195 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -1 |
| H | -11 |
EVODEX.1-M176 - Mass Difference
-165.07903
EVODEX.1-E894 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:1](-[H:39])-[H]>>[#8:1](-[#6:8](-[#6:7])=[#8:9])-[H:39]
EVODEX.1-C907 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:28]>>[#6:14]-[#8:28]
EVODEX.1-N1139 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14](-[#6@:2])=[#8:15])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:28]-[H:51]>>[#6:14](-[#6@:2])(=[#8:15])-[#8:28]-[H:51]
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-R5586
[N:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34].[H][O:18][H:35]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[O:18][H:35])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34].[H][N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]