SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[C:20]([O:21][H:42])([C@:22]([N:23]([H:43])[H:44])([C@:24]([O:25][H:45])([C:26](=[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])([H:94])[H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])([H:107])[H:108]>>[H][C:20]([O:21][H:42])([C@:22]([N:23]([H:43])[H:44])([C@:24]([O:25][H:45])([C:26](=[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:77].[H]O[C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:106])([H:107])[H:108])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])[H:97])[H:96])([H:94])[H:95])[H:93])[H:92])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:19]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E389 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30]>>[#6:20](-[#8:21])(-[#6:22])(-[H:30])-[H].[#6:17]-[#6:18](=[#8:19])-[#8]-[H]
EVODEX.1-N642 - Reaction Operator N
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30]>>[H]-[#6:20](-[#8:21])(-[#6:22])-[H:30].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
EVODEX.1-Em608 - Reaction Operator Em
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])-[#6:22]>>[H]-[#6:20](-[#8:21])-[#6:22].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
EVODEX.1-Nm543 - Reaction Operator Nm
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])-[#6:22]>>[H]-[#6:20](-[#8:21])-[#6:22].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
Source Full Reactions
EVODEX.1-R6322
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[C:20]([O:21][H:42])([C@:22]([N:23]([H:43])[H:44])([C@:24]([O:25][H:45])([C:26](=[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])([H:94])[H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])([H:107])[H:108].[H][O:41][H:109]>>[H][C:20]([O:21][H:42])([C@:22]([N:23]([H:43])[H:44])([C@:24]([O:25][H:45])([C:26](=[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:77].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:41][H:109])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])([H:94])[H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])([H:107])[H:108]