SMIRKS
[H][O:21][C@:20]1([H:63])[C@:18]([O:19][H:60])([H:61])[C@@:5]([O:6][C@@:7]2([H:48])[C@@:8]([O:9][H:49])([H:50])[C@:10]([C:11]([O:12][H:51])([H:52])[H:53])([H:54])[O:13][C:14]([O:15][H:55])([H:56])[C@@:16]2([O:17][H:57])[H:58])([H:59])[O:4][C@@:3]([C:2]([O:1][H:68])([H:66])[H:67])([H:47])[C@:22]1([O:23][H:64])[H:65].[O:24]([C:25]([C@@:26]1([H:69])[O:27][C@:28]([O:29][C@@:30]2([H:70])[C@@:31]([O:32][H:71])([H:72])[C@:33]([C:34]([O:35][H:73])([H:74])[H:75])([H:76])[O:36][C:37]([O:38][H:77])([H:78])[C@@:39]2([O:40][H:79])[H:80])([H:81])[C@@:41]([O:42][H:82])([H:83])[C@:43]([O:44][H:84])([H:85])[C@@:45]1([O:46][H:86])[H:87])([H:88])[H:89])[H:90]>>[O:1]([C:2]([C@@:3]1([H:47])[O:4][C@:5]([O:6][C@@:7]2([H:48])[C@@:8]([O:9][H:49])([H:50])[C@:10]([C:11]([O:12][H:51])([H:52])[H:53])([H:54])[O:13][C:14]([O:15][H:55])([H:56])[C@@:16]2([O:17][H:57])[H:58])([H:59])[C@@:18]([O:19][H:60])([H:61])[C@:20]([O:21][C@:28]2([H:81])[O:27][C@@:26]([C:25]([O:24][H:90])([H:88])[H:89])([H:69])[C@:45]([O:46][H:86])([H:87])[C@@:43]([O:44][H:84])([H:85])[C@:41]2([O:42][H:82])[H:83])([H:63])[C@@:22]1([O:23][H:64])[H:65])([H:66])[H:67])[H:68].[H][O:29][C@@:30]1([H:70])[C@@:31]([O:32][H:71])([H:72])[C@:33]([C:34]([O:35][H:73])([H:74])[H:75])([H:76])[O:36][C:37]([O:38][H:77])([H:78])[C@@:39]1([O:40][H:79])[H:80]
Derived Operators
EVODEX.1-C1400 - Reaction Operator C
([H]-[#8:21].[#6@:18]-[#6@@:5].[#6@:22]).[#8:29]-[#6@:28]-[#6@@:41]-[#6@:43]-[#6@@:45]>>([#8:21]-[#6@:28]-[#6@:41]-[#6@@:43]-[#6@:45].[#6@:5]-[#6@@:18].[#6@@:22]).[H]-[#8:29]
EVODEX.1-N1781 - Reaction Operator N
[H]-[#8:21]-[#6@@:20]1-[#6@:18](-[#8:19])(-[H:61])-[#6@@:5](-[#8:6])(-[H:59])-[#8:4]-[#6@@:3]-[#6@:22]-1(-[#8:23])-[H:65].[#8:27]1-[#6@@:26]-[#6@:45](-[#6@@:43](-[#6@:41](-[#6@@:28]-1(-[#8:29]-[#6@@:30])-[H:81])(-[#8:42])-[H:83])(-[#8:44])-[H:85])(-[#8:46])-[H:87]>>[#8:4]1-[#6@@:3]-[#6@:22](-[#6@:20](-[#6@:18](-[#6@@:5]-1(-[#8:6])-[H:59])(-[#8:19])-[H:61])-[#8:21]-[#6@:28]1(-[H:81])-[#8:27]-[#6@@:26]-[#6@:45](-[#8:46])(-[H:87])-[#6@@:43](-[#8:44])(-[H:85])-[#6@:41]-1(-[#8:42])-[H:83])(-[#8:23])-[H:65].[H]-[#8:29]-[#6@@:30]
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-R5298
[H][O:21][C@:20]1([H:63])[C@:18]([O:19][H:60])([H:61])[C@@:5]([O:6][C@@:7]2([H:48])[C@@:8]([O:9][H:49])([H:50])[C@:10]([C:11]([O:12][H:51])([H:52])[H:53])([H:54])[O:13][C:14]([O:15][H:55])([H:56])[C@@:16]2([O:17][H:57])[H:58])([H:59])[O:4][C@@:3]([C:2]([O:1][H:68])([H:66])[H:67])([H:47])[C@:22]1([O:23][H:64])[H:65].[O:24]([C:25]([C@@:26]1([H:69])[O:27][C@:28]([O:29][C@@:30]2([H:70])[C@@:31]([O:32][H:71])([H:72])[C@:33]([C:34]([O:35][H:73])([H:74])[H:75])([H:76])[O:36][C:37]([O:38][H:77])([H:78])[C@@:39]2([O:40][H:79])[H:80])([H:81])[C@@:41]([O:42][H:82])([H:83])[C@:43]([O:44][H:84])([H:85])[C@@:45]1([O:46][H:86])[H:87])([H:88])[H:89])[H:90]>>[O:1]([C:2]([C@@:3]1([H:47])[O:4][C@:5]([O:6][C@@:7]2([H:48])[C@@:8]([O:9][H:49])([H:50])[C@:10]([C:11]([O:12][H:51])([H:52])[H:53])([H:54])[O:13][C:14]([O:15][H:55])([H:56])[C@@:16]2([O:17][H:57])[H:58])([H:59])[C@@:18]([O:19][H:60])([H:61])[C@:20]([O:21][C@:28]2([H:81])[O:27][C@@:26]([C:25]([O:24][H:90])([H:88])[H:89])([H:69])[C@:45]([O:46][H:86])([H:87])[C@@:43]([O:44][H:84])([H:85])[C@:41]2([O:42][H:82])[H:83])([H:63])[C@@:22]1([O:23][H:64])[H:65])([H:66])[H:67])[H:68].[H][O:29][C@@:30]1([H:70])[C@@:31]([O:32][H:71])([H:72])[C@:33]([C:34]([O:35][H:73])([H:74])[H:75])([H:76])[O:36][C:37]([O:38][H:77])([H:78])[C@@:39]1([O:40][H:79])[H:80]