SMIRKS
[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:42])([H:43])[H:44])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:45])([H:46])[H:47])[C:14]([H:48])([H:49])[H:50])[H:51])([H:52])[H:53])=[C:15]([C:16]([H:54])([H:55])[H:56])[C:17]1=[O:18])([H:57])([H:58])[H:59].[H][C@@:30]1([O:31][H])[C@@:28]([O:29][H:64])([H:65])[C@:26]([O:27][H:62])([H:63])[C@@:25]([O:24][C@:23]2([H:72])[O:22][C@@:21]([C:20]([O:19][H:81])([H:79])[H:80])([H:60])[C@:40]([O:41][H:77])([H:78])[C@@:38]([O:39][H:75])([H:76])[C@:36]2([O:37][H:73])[H:74])([H:61])[C@:33]([C:34]([O:35][H:68])([H:69])[H:70])([H:71])[O:32]1>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:42])([H:43])[H:44]):[C:3]([O:2][C:1]([H:57])([H:58])[H:59]):[C:17]([O:18][H]):[C:15]([C:16]([H:54])([H:55])[H:56]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:45])([H:46])[H:47])[C:14]([H:48])([H:49])[H:50])[H:51])([H:52])[H:53].[O:19]([C:20]([C@@:21]1([H:60])[O:22][C@:23]([O:24][C@@:25]2([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C:30](=[O:31])[O:32][C@@:33]2([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]([O:37][H:73])([H:74])[C@:38]([O:39][H:75])([H:76])[C@@:40]1([O:41][H:77])[H:78])([H:79])[H:80])[H:81]
Derived Operators
EVODEX.1-E317 - Reaction Operator E
[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[#8:17]-[#6@:18](-[#8:19]-[H])(-[H])-[#6@@:20]>>[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H].[#8:17]-[#6:18](=[#8:19])-[#6@@:20]
EVODEX.1-C1042 - Reaction Operator C
([#8:8].[#8:18]).([H]-[#6@@:30](-[#8:31]-[H])-[#6@@:28]-[#6@:26].[#6@:40]-[#6@@:38]-[#6@:36].[#6@:33])>>([H]-[#8:8].[#8:18]-[H]).([#6:30](-[#6@:28]-[#6@@:26])=[#8:31].[#6@@:33].[#6@@:36]-[#6@:38]-[#6@@:40])
EVODEX.1-N1294 - Reaction Operator N
([#6:7]=[#8:8].[#6:17]=[#8:18]).([H]-[#6@@:30]1(-[#8:31]-[H])-[#6@@:28](-[#8:29])(-[H:65])-[#6@:26](-[#8:27])(-[H:63])-[#6@@:25]-[#6@:33](-[#6:34])(-[H:71])-[#8:32]-1.[#8:41]-[#6@@:40](-[#6@@:21])(-[H:78])-[#6@@:38](-[#8:39])(-[H:76])-[#6@:36](-[#6@:23])(-[#8:37])-[H:74])>>([H]-[#8:8]-[#6:7].[#6:17]-[#8:18]-[H]).([#8:27]-[#6@:26]1(-[#6@@:25]-[#6@:33](-[#8:32]-[#6:30](-[#6@@:28]-1(-[#8:29])-[H:65])=[#8:31])(-[#6:34])-[H:71])-[H:63].[#8:37]-[#6@:36](-[#6@:23])(-[H:74])-[#6@:38](-[#8:39])(-[H:76])-[#6@@:40](-[#6@@:21])(-[#8:41])-[H:78])
EVODEX.1-Em186 - Reaction Operator Em
[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[H]-[#6:18](-[#8:19]-[H])(-[#8:17])-[#6:20]>>[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1.[#8:17]-[#6:18](=[#8:19])-[#6:20]
EVODEX.1-Cm76 - Reaction Operator Cm
([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])
EVODEX.1-Nm192 - Reaction Operator Nm
([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:18](-[#8:19]-[H])(-[#8:17])-[#6:20]>>([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H]).[#8:17]-[#6:18](=[#8:19])-[#6:20]
Source Full Reactions
EVODEX.1-R217
[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:42])([H:43])[H:44])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:45])([H:46])[H:47])[C:14]([H:48])([H:49])[H:50])[H:51])([H:52])[H:53])=[C:15]([C:16]([H:54])([H:55])[H:56])[C:17]1=[O:18])([H:57])([H:58])[H:59].[H][C@@:30]1([O:31][H])[C@@:28]([O:29][H:64])([H:65])[C@:26]([O:27][H:62])([H:63])[C@@:25]([O:24][C@:23]2([H:72])[O:22][C@@:21]([C:20]([O:19][H:81])([H:79])[H:80])([H:60])[C@:40]([O:41][H:77])([H:78])[C@@:38]([O:39][H:75])([H:76])[C@:36]2([O:37][H:73])[H:74])([H:61])[C@:33]([C:34]([O:35][H:68])([H:69])[H:70])([H:71])[O:32]1>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:42])([H:43])[H:44]):[C:3]([O:2][C:1]([H:57])([H:58])[H:59]):[C:17]([O:18][H]):[C:15]([C:16]([H:54])([H:55])[H:56]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:45])([H:46])[H:47])[C:14]([H:48])([H:49])[H:50])[H:51])([H:52])[H:53].[O:19]([C:20]([C@@:21]1([H:60])[O:22][C@:23]([O:24][C@@:25]2([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C:30](=[O:31])[O:32][C@@:33]2([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]([O:37][H:73])([H:74])[C@:38]([O:39][H:75])([H:76])[C@@:40]1([O:41][H:77])[H:78])([H:79])[H:80])[H:81]