SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C@:9]1([H:24])[O:10][C@@:11]1([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59]>>[H]O[C@:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([C@:11]([O:10][H])([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])[H:24]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E378 - Reaction Operator E
[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29]>>[#6:5]-[#6@:6](-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])(-[#8]-[H])-[H:21]
EVODEX.1-C899 - Reaction Operator C
[#8:7]1-[#6@@:6]-[#6@:8]-1>>[H]-[#8]-[#6@:6]-[#6@@:8]-[#8:7]-[H]
EVODEX.1-N1133 - Reaction Operator N
[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29]>>[H]-[#8]-[#6@:6](-[#6:5])(-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])-[H:21]
EVODEX.1-Em125 - Reaction Operator Em
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]
EVODEX.1-Nm159 - Reaction Operator Nm
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]
Source Full Reactions
EVODEX.1-R5399
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C@:9]1([H:24])[O:10][C@@:11]1([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][O:23][H:60]>>[H][O:10][C@@:11]([C@@:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([O:23][H:60])[H:24])([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42]