SMIRKS
[O:2]([C:3]([C@:4]1([H:32])[O:5][C@:6]([O:7][C@:8]2([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]3([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]3([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]2([O:25][H:48])[H:49])([H:50])[C@@:26]([O:27][H:51])([H:52])[C@:28]1([O:29][H:53])[H:54])([H:55])[H:56])[H:57]>>[H]O[C:6]1([H:50])[O:5][C@:4]([C:3]([O:2][H:57])([H:55])[H:56])([H:32])[C@@:28]([O:29][H:53])([H:54])[C@:26]1([O:27][H:51])[H:52].[H][O:7][C@:8]1([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]2([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]2([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]1([O:25][H:48])[H:49]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C540 - Reaction Operator C
[#8:7]-[#6@:6]-[#6@@:26]-[#6@:28]>>[H]-[#8]-[#6:6]-[#6@:26]-[#6@@:28].[H]-[#8:7]
EVODEX.1-N689 - Reaction Operator N
[#8:5]1-[#6@:4]-[#6@@:28](-[#6@:26](-[#6@@:6]-1(-[#8:7]-[#6@:8])-[H:50])(-[#8:27])-[H:52])(-[#8:29])-[H:54]>>[H]-[#8]-[#6:6]1(-[H:50])-[#8:5]-[#6@:4]-[#6@@:28](-[#8:29])(-[H:54])-[#6@:26]-1(-[#8:27])-[H:52].[H]-[#8:7]-[#6@:8]
EVODEX.1-Em39 - Reaction Operator Em
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
EVODEX.1-Nm43 - Reaction Operator Nm
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
Source Full Reactions
EVODEX.1-R5351
[H][O:1][H:30].[O:2]([C:3]([C@:4]1([H:32])[O:5][C@:6]([O:7][C@:8]2([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]3([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]3([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]2([O:25][H:48])[H:49])([H:50])[C@@:26]([O:27][H:51])([H:52])[C@:28]1([O:29][H:53])[H:54])([H:55])[H:56])[H:57]>>[O:1]([C:6]1([H:50])[O:5][C@:4]([C:3]([O:2][H:57])([H:55])[H:56])([H:32])[C@@:28]([O:29][H:53])([H:54])[C@:26]1([O:27][H:51])[H:52])[H:30].[H][O:7][C@:8]1([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]2([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]2([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]1([O:25][H:48])[H:49]