SMIRKS
[O:2]([C:3]([C@:4]1([H:41])[O:5][C@:6]([O:7][C@@:8]2([H:42])[C@@:9]([O:10][C@:11]3([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]4([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]4([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]3([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]2([O:34][H:65])[H:66])([H:67])[C@@:35]([O:36][H:68])([H:69])[C@:37]1([O:38][H:70])[H:71])([H:72])[H:73])[H:74]>>[H]O[C@@:6]1([H:67])[O:5][C@:4]([C:3]([O:2][H:74])([H:72])[H:73])([H:41])[C@@:37]([O:38][H:70])([H:71])[C@:35]1([O:36][H:68])[H:69].[H][O:7][C@@:8]1([H:42])[C@@:9]([O:10][C@:11]2([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]3([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]3([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]2([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66]
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-R5346
[H][O:1][H:39].[O:2]([C:3]([C@:4]1([H:41])[O:5][C@:6]([O:7][C@@:8]2([H:42])[C@@:9]([O:10][C@:11]3([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]4([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]4([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]3([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]2([O:34][H:65])[H:66])([H:67])[C@@:35]([O:36][H:68])([H:69])[C@:37]1([O:38][H:70])[H:71])([H:72])[H:73])[H:74]>>[O:1]([C@@:6]1([H:67])[O:5][C@:4]([C:3]([O:2][H:74])([H:72])[H:73])([H:41])[C@@:37]([O:38][H:70])([H:71])[C@:35]1([O:36][H:68])[H:69])[H:39].[H][O:7][C@@:8]1([H:42])[C@@:9]([O:10][C@:11]2([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]3([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]3([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]2([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66]