SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]([C:12]([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])([O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82]>>[H]O[C@@:12]([C:11]([O:10][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:80])([H:81])[H:82])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])=[O:9])([H:66])[H:67])([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])[H:65].[H][O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E358 - Reaction Operator E
[#8:7](-[#6@@:6](-[#6@:5])(-[H:32])-[#6@@:13])-[#6@:8]>>[#8](-[#6@@:6](-[#6@:5])(-[H:32])-[#6@@:13])-[H].[#8:7](-[#6@:8])-[H]
EVODEX.1-N1367 - Reaction Operator N
[#8:12](-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44])-[#6:13]>>[H]-[#8]-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44].[H]-[#8:12]-[#6:13]
EVODEX.1-Em116 - Reaction Operator Em
[#6:27]-[#6:36](-[#6:34])-[#8:37]-[#6:38]>>[H]-[#8]-[#6:36](-[#6:27])-[#6:34].[H]-[#8:37]-[#6:38]
EVODEX.1-Nm150 - Reaction Operator Nm
[#6:27]-[#6:36](-[#6:34])-[#8:37]-[#6:38]>>[H]-[#8]-[#6:36](-[#6:27])-[#6:34].[H]-[#8:37]-[#6:38]
Source Full Reactions
EVODEX.1-R4838
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]([C:12]([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])([O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82].[H][O:36][H:83]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]([C@@:12]([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])([O:36][H:83])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82].[H][O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64]