SMIRKS
[C:1](#[C:2][C@@:3]1([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:9]([H:39])([H:40])[C@:10]2([H:41])[C:11]([H:42])([H:43])[C:12]([H:44])([H:45])[C@:13]3([H:46])[C@:14]([H:47])([C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]4([C:18]([H:52])([H:53])[H:54])[C@@:19]3([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]#[C:24][H:60])[O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65])[C@@:30]2([C:31]([H:66])([H:67])[H:68])[C:32]1([H:69])[H:70])[H:71]>>[H]O[C@@:22]1([C:23]#[C:24][H:60])[C@@:17]2([C:18]([H:52])([H:53])[H:54])[C:16]([H:50])([H:51])[C:15]([H:48])([H:49])[C@@:14]3([H:47])[C@@:13]([H:46])([C:12]([H:44])([H:45])[C:11]([H:42])([H:43])[C@@:10]4([H:41])[C:9]([H:39])([H:40])[C@@:3]([C:2]#[C:1][H:71])([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:32]([H:69])([H:70])[C@@:30]43[C:31]([H:66])([H:67])[H:68])[C@:19]2([H:55])[C:20]([H:56])([H:57])[C:21]1([H:58])[H:59].[H][O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E386 - Reaction Operator E
[#6:1]-[#6:2](-[#8:3]-[#6:4])(-[#6:16])-[#6:19]>>[#6:1]-[#6@:2](-[#6:16])(-[#6:19])-[#8]-[H].[#8:3](-[#6:4])-[H]
EVODEX.1-C1364 - Reaction Operator C
([#8:25]-[#6@:22].[#6@:10]-[#6@@:30]-[#6@:14]-[#6@:13]-[#6@@:19])>>([H]-[#8]-[#6@@:22].[#6@@:14](-[#6@@:13]-[#6@:19])-[#6@:30]-[#6@@:10]).[H]-[#8:25]
EVODEX.1-N1726 - Reaction Operator N
[#6:9]-[#6@:10]1(-[H:41])-[#6:11]-[#6:12]-[#6@:13](-[H:46])(-[#6@:14](-[H:47])(-[#6:15])-[#6@@:30]-1(-[#6:31])-[#6:32])-[#6@:19]1(-[#6@@:17]-[#6@@:22](-[#6:21]-[#6:20]-1)(-[#6:23])-[#8:25]-[#6:26])-[H:55]>>[H]-[#8]-[#6@@:22]1(-[#6:23])-[#6@@:17]-[#6@@:19](-[#6@:13]2(-[#6@@:14](-[#6:15])(-[H:47])-[#6@:30](-[#6@:10](-[#6:11]-[#6:12]-2)(-[H:41])-[#6:9])(-[#6:32])-[#6:31])-[H:46])(-[H:55])-[#6:20]-[#6:21]-1.[H]-[#8:25]-[#6:26]
EVODEX.1-Em583 - Reaction Operator Em
[#6:6]-[#6:7](-[#6:8])(-[#8:9]-[#6:10])-[#6:32]>>[H]-[#8]-[#6:7](-[#6:6])(-[#6:8])-[#6:32].[H]-[#8:9]-[#6:10]
EVODEX.1-Nm523 - Reaction Operator Nm
[#6:6]-[#6:7](-[#6:8])(-[#8:9]-[#6:10])-[#6:32]>>[H]-[#8]-[#6:7](-[#6:6])(-[#6:8])-[#6:32].[H]-[#8:9]-[#6:10]
Source Full Reactions
EVODEX.1-R4710
[C:1](#[C:2][C@@:3]1([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:9]([H:39])([H:40])[C@:10]2([H:41])[C:11]([H:42])([H:43])[C:12]([H:44])([H:45])[C@:13]3([H:46])[C@:14]([H:47])([C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]4([C:18]([H:52])([H:53])[H:54])[C@@:19]3([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]#[C:24][H:60])[O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65])[C@@:30]2([C:31]([H:66])([H:67])[H:68])[C:32]1([H:69])[H:70])[H:71].[H][O:33][H:72]>>[C:1](#[C:2][C@@:3]1([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:9]([H:39])([H:40])[C@:10]2([H:41])[C:11]([H:42])([H:43])[C:12]([H:44])([H:45])[C@:13]3([H:46])[C@:14]([H:47])([C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]4([C:18]([H:52])([H:53])[H:54])[C@@:19]3([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@@:22]4([C:23]#[C:24][H:60])[O:33][H:72])[C@@:30]2([C:31]([H:66])([H:67])[H:68])[C:32]1([H:69])[H:70])[H:71].[H][O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65]