SMIRKS
[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C:4]([C:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([C:11]1:[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]([H:59]):[C:16]:1[H:60])([H:61])[H:62])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:63])[H:64])([C:30]([C:31]1:[C:32]([H:65]):[C:33]([H:66]):[C:34]([O:35][H:67]):[C:36]([H:68]):[C:37]:1[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])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:82])[N:48]([H:83])[H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([C:49](=[O:50])[O:51][H:92])[H:93])[H:94])[H:95])([H:96])[H:97])[H:98])([H:99])([H:100])[H:101]>>[H]O[C:38]([C@:5]([C:4]([C:2]([C:1]([H:99])([H:100])[H:101])([C:3]([H:53])([H:54])[H:55])[H:98])([H:96])[H:97])([N:6]([C:7](=[O:8])[C:9]([C:10]([C:11]1:[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]([H:59]):[C:16]:1[H:60])([H:61])[H:62])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:63])[H:64])([C:30]([C:31]1:[C:32]([H:65]):[C:33]([H:66]):[C:34]([O:35][H:67]):[C:36]([H:68]):[C:37]:1[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:95])=[O:39].[H][N:40]([C@@:41]([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:82])[N:48]([H:83])[H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([C:49](=[O:50])[O:51][H:92])[H:93])[H:94]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E400 - Reaction Operator E
[#6:11]-[#6:13](-[#6:14])(-[#7:21](-[#6:22](=[#8:23])-[#6:24](-[#6:25])(-[#7:32])-[H:74])-[H:75])-[H:76]>>[#6:22](=[#8:23])(-[#6@:24](-[#6:25])(-[#7:32])-[H:74])-[#8]-[H].[#6:11]-[#6@:13](-[#6:14])(-[#7:21](-[H:75])-[H])-[H:76]
EVODEX.1-C915 - Reaction Operator C
[#6:9]-[#7:17]-[#6:18]-[#6:20]>>[H]-[#8]-[#6:18]-[#6@:20].[H]-[#7:17]-[#6@@:9]
EVODEX.1-N1145 - Reaction Operator N
[#6:7]-[#6:9](-[#6:10])(-[#7:17](-[#6:18](=[#8:19])-[#6:20](-[#6:21])(-[#7:28])-[H:143])-[H:144])-[H:145]>>[H]-[#8]-[#6:18](=[#8:19])-[#6@:20](-[#6:21])(-[#7:28])-[H:143].[H]-[#7:17](-[#6@@:9](-[#6:7])(-[#6:10])-[H:145])-[H:144]
EVODEX.1-Em50 - Reaction Operator Em
[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R5558
[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C:4]([C:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([C:11]1:[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]([H:59]):[C:16]:1[H:60])([H:61])[H:62])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:63])[H:64])([C:30]([C:31]1:[C:32]([H:65]):[C:33]([H:66]):[C:34]([O:35][H:67]):[C:36]([H:68]):[C:37]:1[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])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:82])[N:48]([H:83])[H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([C:49](=[O:50])[O:51][H:92])[H:93])[H:94])[H:95])([H:96])[H:97])[H:98])([H:99])([H:100])[H:101].[H][O:52][H:102]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([C:11]1:[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]([H:59]):[C:16]:1[H:60])([H:61])[H:62])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:63])[H:64])([C:30]([C:31]1:[C:32]([H:65]):[C:33]([H:66]):[C:34]([O:35][H:67]):[C:36]([H:68]):[C:37]:1[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])([C:38](=[O:39])[O:52][H:102])[H:95])([H:96])[H:97])[H:98])([H:99])([H:100])[H:101].[H][N:40]([C@@:41]([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:82])[N:48]([H:83])[H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([C:49](=[O:50])[O:51][H:92])[H:93])[H:94]