SMIRKS
O=[C:4]([C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])[C:6](=[O:7])[O:8][H:24].[H]OC(=O)[C@]([H])(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])[N:20]([H:36])[H:37]>>[H][C:4]([C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([C:6](=[O:7])[O:8][H:24])[N:20]([H:36])[H:37]
Derived Operators
EVODEX.1-F438 - Elemental Balance
| C | -10 |
| O | -4 |
| N | -1 |
| H | -9 |
EVODEX.1-M421 - Mass Difference
-207.05317
EVODEX.1-E1247 - Reaction Operator E
[#6:3]-[#6:5](=[#8])-[#6:7]=[#8:8].[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#6](=[#8])-[#6](-[#6@](-[#7:21](-[H:39])-[H:40])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:3]-[#6:5](-[#6:7]=[#8:8])(-[#7:21](-[H:39])-[H:40])-[H]
EVODEX.1-C464 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#7:12].[#8]=[#6:19]>>[H]-[#6:19]-[#7:12]
EVODEX.1-N564 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#7:12](-[H:33])-[H:34].[#8]=[#6:19](-[#6:17])-[#6:21]>>[H]-[#6:19](-[#7:12](-[H:33])-[H:34])(-[#6:17])-[#6:21]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3832
[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][C@@:19]([C:18]([C:16]([C:15]1:[C:10]([N:9]([H:42])[H:43]):[C:11]([H:32]):[C:12]([H:33]):[C:13]([H:34]):[C:14]:1[H:35])=[O:17])([H:40])[H:41])([N:20]([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]>>[H][C:4]([C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([C:6](=[O:7])[O:8][H:24])[N:20]([H:36])[H:37].[O:5]=[C:19]([C:18]([C:16]([C:15]1:[C:10]([N:9]([H:42])[H:43]):[C:11]([H:32]):[C:12]([H:33]):[C:13]([H:34]):[C:14]:1[H:35])=[O:17])([H:40])[H:41])[C:21](=[O:22])[O:23][H:38]