SMIRKS
[O:2]([C:3]([C@@:4]1([H:38])[O:5][C@@:6]([O:7][C:8]([C@@:9]2([H:39])[O:10][C@@:11]([O:12][C@:13]3([C:14]([O:15][H:40])([H:41])[H:42])[O:16][C@@:17]([C:18]([O:19][H:43])([H:44])[H:45])([H:46])[C@:20]([O:21][H:47])([H:48])[C@@:22]3([O:23][H:49])[H:50])([H:51])[C@@:24]([O:25][H:52])([H:53])[C@:26]([O:27][H:54])([H:55])[C@@:28]2([O:29][H:56])[H:57])([H:58])[H:59])([H:60])[C@@:30]([O:31][H:61])([H:62])[C@:32]([O:33][H:63])([H:64])[C@:34]1([O:35][H:65])[H:66])([H:67])[H:68])[H:69]>>[H]O[C@@:6]1([H:60])[O:5][C@@:4]([C:3]([O:2][H:69])([H:67])[H:68])([H:38])[C@@:34]([O:35][H:65])([H:66])[C@@:32]([O:33][H:63])([H:64])[C@:30]1([O:31][H:61])[H:62].[H][O:7][C:8]([C@@:9]1([H:39])[O:10][C@@:11]([O:12][C@:13]2([C:14]([O:15][H:40])([H:41])[H:42])[O:16][C@@:17]([C:18]([O:19][H:43])([H:44])[H:45])([H:46])[C@:20]([O:21][H:47])([H:48])[C@@:22]2([O:23][H:49])[H:50])([H:51])[C@@:24]([O:25][H:52])([H:53])[C@:26]([O:27][H:54])([H:55])[C@@:28]1([O:29][H:56])[H:57])([H:58])[H:59]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C526 - Reaction Operator C
[#8:7]-[#6@:6]-[#6@@:30]-[#6@:32]-[#6@@:34]>>[H]-[#8]-[#6:6]-[#6@:30]-[#6@@:32]-[#6@:34].[H]-[#8:7]
EVODEX.1-N669 - Reaction Operator N
[#8:5]1-[#6@@:4]-[#6@:34](-[#6@@:32](-[#6@:30](-[#6@@:6]-1(-[#8:7]-[#6@:8])-[H:60])(-[#8:31])-[H:62])(-[#8:33])-[H:64])(-[#8:35])-[H:66]>>[H]-[#8]-[#6:6]1(-[H:60])-[#8:5]-[#6@@:4]-[#6@:34](-[#8:35])(-[H:66])-[#6@@:32](-[#8:33])(-[H:64])-[#6@:30]-1(-[#8:31])-[H:62].[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-R5302
[H][O:1][H:36].[O:2]([C:3]([C@@:4]1([H:38])[O:5][C@@:6]([O:7][C:8]([C@@:9]2([H:39])[O:10][C@@:11]([O:12][C@:13]3([C:14]([O:15][H:40])([H:41])[H:42])[O:16][C@@:17]([C:18]([O:19][H:43])([H:44])[H:45])([H:46])[C@:20]([O:21][H:47])([H:48])[C@@:22]3([O:23][H:49])[H:50])([H:51])[C@@:24]([O:25][H:52])([H:53])[C@:26]([O:27][H:54])([H:55])[C@@:28]2([O:29][H:56])[H:57])([H:58])[H:59])([H:60])[C@@:30]([O:31][H:61])([H:62])[C@:32]([O:33][H:63])([H:64])[C@:34]1([O:35][H:65])[H:66])([H:67])[H:68])[H:69]>>[O:1]([C@@:6]1([H:60])[O:5][C@@:4]([C:3]([O:2][H:69])([H:67])[H:68])([H:38])[C@@:34]([O:35][H:65])([H:66])[C@@:32]([O:33][H:63])([H:64])[C@:30]1([O:31][H:61])[H:62])[H:36].[H][O:7][C:8]([C@@:9]1([H:39])[O:10][C@@:11]([O:12][C@:13]2([C:14]([O:15][H:40])([H:41])[H:42])[O:16][C@@:17]([C:18]([O:19][H:43])([H:44])[H:45])([H:46])[C@:20]([O:21][H:47])([H:48])[C@@:22]2([O:23][H:49])[H:50])([H:51])[C@@:24]([O:25][H:52])([H:53])[C@:26]([O:27][H:54])([H:55])[C@@:28]1([O:29][H:56])[H:57])([H:58])[H:59]