SMIRKS
[H][O:13][C@@:12]1([H:54])[C@@:10]([O:11][H:51])([H:52])[C@:8]([O:9][H:49])([H:50])[C@@:7]([O:6][C@:5]2([H:59])[O:4][C@@:3]([C:2]([O:1][H:68])([H:66])[H:67])([H:47])[C@@:22]([O:23][H:64])([H:65])[C@@:20]([O:21][H:62])([H:63])[C@:18]2([O:19][H:60])[H:61])([H:48])[C@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[O:14]1.[O:24]([C:25]([C@@:26]1([H:69])[O:27][C@@:28]([C:29]([O:30][H:70])([H:71])[H:72])([O:31][C@@:32]2([H:73])[O:33][C@@:34]([C:35]([O:36][H:74])([H:75])[H:76])([H:77])[C@:37]([O:38][H:78])([H:79])[C@@:39]([O:40][H:80])([H:81])[C@:41]2([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]([O:11][H:51])([H:52])[C@@:12]([O:13][C@:28]3([C:29]([O:30][H:70])([H:71])[H:72])[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]3([O:44][H:84])[H:85])([H:54])[O:14][C@@:15]2([C:16]([O:17][H:55])([H:56])[H:57])[H:58])([H:59])[C@@:18]([O:19][H:60])([H:61])[C@:20]([O:21][H:62])([H:63])[C@:22]1([O:23][H:64])[H:65])([H:66])[H:67])[H:68].[H][O:31][C:32]1([H:73])[O:33][C@@:34]([C:35]([O:36][H:74])([H:75])[H:76])([H:77])[C@:37]([O:38][H:78])([H:79])[C@@:39]([O:40][H:80])([H:81])[C@:41]1([O:42][H:82])[H:83]
Derived Operators
EVODEX.1-E330 - Reaction Operator E
[#6:6]-[#8:7]-[H].[#8:49]1-[#6@@:48]-[#6@:67](-[#6@@:65](-[#6@:50]-1(-[#6:51])-[#8:53]-[#6@@:54](-[H:115])(-[#8:55])-[#6@:63])(-[#8:66])-[H:127])(-[#8:68])-[H:129]>>[#6:6]-[#8:7]-[#6@@:50]1(-[#6:51])-[#8:49]-[#6@@:48]-[#6@:67](-[#8:68])(-[H:129])-[#6@@:65]-1(-[#8:66])-[H:127].[#8:53](-[#6:54](-[H:115])(-[#8:55])-[#6@:63])-[H]
EVODEX.1-C1236 - Reaction Operator C
([H]-[#8:13].[#6@@:10]-[#6@:8].[#6@@:22]-[#6@@:20]-[#6@:18].[#6@:15]).[#8:31](-[#6@@:28]-[#6@:43]-[#6@@:45])-[#6@@:32]>>([#8:13]-[#6@:28]-[#6@@:43]-[#6@:45].[#6@@:8]-[#6@:10].[#6@@:15].[#6@@:18]-[#6@:20]-[#6@:22]).[H]-[#8:31]-[#6:32]
EVODEX.1-N1534 - Reaction Operator N
([H]-[#8:13]-[#6@:12]1-[#6@@:10](-[#8:11])(-[H:52])-[#6@:8](-[#8:9])(-[H:50])-[#6@@:7]-[#6@:15](-[#6:16])(-[H:58])-[#8:14]-1.[#8:23]-[#6@:22](-[#6@@:3])(-[H:65])-[#6@@:20](-[#8:21])(-[H:63])-[#6@:18](-[#6@:5])(-[#8:19])-[H:61]).[#8:27]1-[#6@@:26]-[#6@:45](-[#6@@:43](-[#6@:28]-1(-[#6:29])-[#8:31]-[#6@@:32](-[H:73])(-[#8:33])-[#6@:41])(-[#8:44])-[H:85])(-[#8:46])-[H:87]>>([#8:9]-[#6@:8]1(-[#6@@:7]-[#6@:15](-[#8:14]-[#6@@:12](-[#6@@:10]-1(-[#8:11])-[H:52])-[#8:13]-[#6@:28]1(-[#6:29])-[#8:27]-[#6@@:26]-[#6@:45](-[#8:46])(-[H:87])-[#6@@:43]-1(-[#8:44])-[H:85])(-[#6:16])-[H:58])-[H:50].[#8:19]-[#6@:18](-[#6@:5])(-[H:61])-[#6@:20](-[#8:21])(-[H:63])-[#6@:22](-[#6@@:3])(-[#8:23])-[H:65]).[H]-[#8:31]-[#6:32](-[H:73])(-[#8:33])-[#6@:41]
EVODEX.1-Em491 - Reaction Operator Em
[H]-[#8:7]-[#6:6].[#8:49]-[#6:50](-[#6:51])(-[#8:53]-[#6:54])-[#6:65]>>[#6:6]-[#8:7]-[#6:50](-[#6:51])(-[#8:49])-[#6:65].[H]-[#8:53]-[#6:54]
EVODEX.1-Nm442 - Reaction Operator Nm
[H]-[#8:7]-[#6:6].[#8:49]-[#6:50](-[#6:51])(-[#8:53]-[#6:54])-[#6:65]>>[#6:6]-[#8:7]-[#6:50](-[#6:51])(-[#8:49])-[#6:65].[H]-[#8:53]-[#6:54]
Source Full Reactions
EVODEX.1-R2968
[H][O:13][C@@:12]1([H:54])[C@@:10]([O:11][H:51])([H:52])[C@:8]([O:9][H:49])([H:50])[C@@:7]([O:6][C@:5]2([H:59])[O:4][C@@:3]([C:2]([O:1][H:68])([H:66])[H:67])([H:47])[C@@:22]([O:23][H:64])([H:65])[C@@:20]([O:21][H:62])([H:63])[C@:18]2([O:19][H:60])[H:61])([H:48])[C@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[O:14]1.[O:24]([C:25]([C@@:26]1([H:69])[O:27][C@@:28]([C:29]([O:30][H:70])([H:71])[H:72])([O:31][C@@:32]2([H:73])[O:33][C@@:34]([C:35]([O:36][H:74])([H:75])[H:76])([H:77])[C@:37]([O:38][H:78])([H:79])[C@@:39]([O:40][H:80])([H:81])[C@:41]2([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]([O:11][H:51])([H:52])[C@@:12]([O:13][C@:28]3([C:29]([O:30][H:70])([H:71])[H:72])[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]3([O:44][H:84])[H:85])([H:54])[O:14][C@@:15]2([C:16]([O:17][H:55])([H:56])[H:57])[H:58])([H:59])[C@@:18]([O:19][H:60])([H:61])[C@:20]([O:21][H:62])([H:63])[C@:22]1([O:23][H:64])[H:65])([H:66])[H:67])[H:68].[H][O:31][C:32]1([H:73])[O:33][C@@:34]([C:35]([O:36][H:74])([H:75])[H:76])([H:77])[C@:37]([O:38][H:78])([H:79])[C@@:39]([O:40][H:80])([H:81])[C@:41]1([O:42][H:82])[H:83]