SMIRKS
[H]O[C@:6]([C:5]([H])([C:4]([C:3]([C:2]([C:1]([H:43])([H:44])[H:45])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])[H:35])([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:19])([H:20])[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:33])[H:34]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:19])([H:20])[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:33])[H:34])[H:35])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E487 - Reaction Operator E
[#6:6]-[#6:7](-[#6@@:8](-[#8]-[H])(-[#6:10])-[H:36])(-[H:37])-[H]>>[#6:6]-[#6:7](=[#6:8](-[#6:10])-[H:36])-[H:37]
EVODEX.1-N62 - Reaction Operator N
[H]-[#8]-[#6@:6](-[#6:5](-[H])(-[#6:4])-[H:35])(-[#6:8])-[H:34]>>[#6:4]-[#6:5](=[#6:6](-[#6:8])-[H:34])-[H:35]
EVODEX.1-Em759 - Reaction Operator Em
[H]-[#8]-[#6:6](-[#6:5](-[H])-[#6:4])-[#6:8]>>[#6:4]-[#6:5]=[#6:6]-[#6:8]
EVODEX.1-Nm169 - Reaction Operator Nm
[H]-[#8]-[#6:6](-[#6:5](-[H])-[#6:4])-[#6:8]>>[#6:4]-[#6:5]=[#6:6]-[#6:8]
Source Full Reactions
EVODEX.1-R7028
[H][C:5]([C:4]([C:3]([C:2]([C:1]([H:43])([H:44])[H:45])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([C@@:6]([O:7][H:18])([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:19])([H:20])[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:33])[H:34])[H:35]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:19])([H:20])[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:33])[H:34])[H:35])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][O:7][H:18]