SMIRKS
[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([O:9][H:58]):[C:10]([H:59]):[C:11]:1[H:60])[H:61])[H:62])[O:12][C@:13]1([H:63])[O:14][C@@:15]([C:16]([O:17][H:64])([H:65])[H:66])([H:67])[C@:18]([O:19][H:68])([H:69])[C@@:20]([O:21][H:70])([H:71])[C@:22]1([O:23][H:72])[H:73].[H][O:34][C:33]1:[C:32]2:[C:31]([H:75]):[C:30]([O:29][C@:28]3([H:85])[O:27][C@@:26]([C:25]([O:24][H:94])([H:92])[H:93])([H:74])[C@:54]([O:55][H:90])([H:91])[C@@:52]([O:53][H:88])([H:89])[C@:50]3([O:51][H:86])[H:87]):[C:41]([C:42]3:[C:43]([H:80]):[C:44]([H:81]):[C:45]([O:46][H:82]):[C:47]([O:48][H:83]):[C:49]:3[H:84]):[O+:40]:[C:39]:2:[C:38]([H:79]):[C:36]([O:37][H:78]):[C:35]:1[H:77]>>[C@@:13]1([O:34][C:33]2:[C:32]3:[C:31]([H:75]):[C:30]([O:29][C@:28]4([H:85])[O:27][C@@:26]([C:25]([O:24][H:94])([H:92])[H:93])([H:74])[C@:54]([O:55][H:90])([H:91])[C@@:52]([O:53][H:88])([H:89])[C@:50]4([O:51][H:86])[H:87]):[C:41]([C:42]4:[C:43]([H:80]):[C:44]([H:81]):[C:45]([O:46][H:82]):[C:47]([O:48][H:83]):[C:49]:4[H:84]):[O+:40]:[C:39]:3:[C:38]([H:79]):[C:36]([O:37][H:78]):[C:35]:2[H:77])([H:63])[O:14][C@@:15]([C:16]([O:17][H:64])([H:65])[H:66])([H:67])[C@:18]([O:19][H:68])([H:69])[C@@:20]([O:21][H:70])([H:71])[C@:22]1([O:23][H:72])[H:73].[H][O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([O:9][H:58]):[C:10]([H:59]):[C:11]:1[H:60])[H:61])[H:62]
Derived Operators
EVODEX.1-E113 - Reaction Operator E
[#6:2]-[#8:3]-[#6@:4](-[H:53])(-[#8:5])-[#6@:13].([#6:34]-[#8:35]-[H].[#8:48]-[#6@:47](-[#6@:26])(-[H:82])-[#6@:49](-[#8:50])(-[H:84])-[#6@@:51](-[#6@@:24])(-[#8:52])-[H:86])>>([#8:35](-[#6@:4](-[H:53])(-[#8:5])-[#6@:13])-[#6:34].[#8:52]-[#6@@:51](-[#6@@:24])(-[H:86])-[#6@@:49](-[#8:50])(-[H:84])-[#6@:47](-[#6@:26])(-[#8:48])-[H:82]).[#6:2]-[#8:3]-[H]
EVODEX.1-N21 - Reaction Operator N
[#8:24]-[#6@@:25](-[#6@:5])(-[#8:26]-[#6:27])-[H:66].[H]-[#8:42]-[#6:41]>>[#8:24]-[#6@:25](-[#6@:5])(-[#8:42]-[#6:41])-[H:66].[H]-[#8:26]-[#6:27]
EVODEX.1-Em44 - Reaction Operator Em
[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]
EVODEX.1-Nm47 - Reaction Operator Nm
[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]
Source Full Reactions
EVODEX.1-R3120
[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([O:9][H:58]):[C:10]([H:59]):[C:11]:1[H:60])[H:61])[H:62])[O:12][C@:13]1([H:63])[O:14][C@@:15]([C:16]([O:17][H:64])([H:65])[H:66])([H:67])[C@:18]([O:19][H:68])([H:69])[C@@:20]([O:21][H:70])([H:71])[C@:22]1([O:23][H:72])[H:73].[H][O:34][C:33]1:[C:32]2:[C:31]([H:75]):[C:30]([O:29][C@:28]3([H:85])[O:27][C@@:26]([C:25]([O:24][H:94])([H:92])[H:93])([H:74])[C@:54]([O:55][H:90])([H:91])[C@@:52]([O:53][H:88])([H:89])[C@:50]3([O:51][H:86])[H:87]):[C:41]([C:42]3:[C:43]([H:80]):[C:44]([H:81]):[C:45]([O:46][H:82]):[C:47]([O:48][H:83]):[C:49]:3[H:84]):[O+:40]:[C:39]:2:[C:38]([H:79]):[C:36]([O:37][H:78]):[C:35]:1[H:77]>>[C@@:13]1([O:34][C:33]2:[C:32]3:[C:31]([H:75]):[C:30]([O:29][C@:28]4([H:85])[O:27][C@@:26]([C:25]([O:24][H:94])([H:92])[H:93])([H:74])[C@:54]([O:55][H:90])([H:91])[C@@:52]([O:53][H:88])([H:89])[C@:50]4([O:51][H:86])[H:87]):[C:41]([C:42]4:[C:43]([H:80]):[C:44]([H:81]):[C:45]([O:46][H:82]):[C:47]([O:48][H:83]):[C:49]:4[H:84]):[O+:40]:[C:39]:3:[C:38]([H:79]):[C:36]([O:37][H:78]):[C:35]:2[H:77])([H:63])[O:14][C@@:15]([C:16]([O:17][H:64])([H:65])[H:66])([H:67])[C@:18]([O:19][H:68])([H:69])[C@@:20]([O:21][H:70])([H:71])[C@:22]1([O:23][H:72])[H:73].[H][O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([O:9][H:58]):[C:10]([H:59]):[C:11]:1[H:60])[H:61])[H:62]