SMIRKS
[H][O:23][C@@:22]1([H:73])[C@@:3]([N:2]([C:1]([H:75])([H:76])[H:77])[H:74])([H:55])[C@@:4]([O:5][C@@:6]2([H:56])[C@@:7]([O:8][H:57])([H:58])[O:9][C@:10]([C:11]([H:59])([H:60])[H:61])([H:62])[C@:12]2([O:13][H:63])[C:14](=[O:15])[H:64])([H:65])[O:16][C@:17]([C:18]([O:19][H:66])([H:67])[H:68])([H:69])[C@@:20]1([O:21][H:70])[H:71].[N:24]([C:25]1:[N:26]:[C:27]([H:78]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:79]):[N:33]:2[C@:34]1([H:80])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:81])[O:42][P:43](=[O:44])([O:45][H:82])[O:46][P:47](=[O:48])([O:49][H:83])[O:50][H:84])([H:85])[H:86])([H:87])[C@:51]([O:52][H:88])([H:89])[C@:53]1([O:54][H:90])[H:91])([H:92])[H:93]>>[C:1]([N:2]([C@:3]1([H:55])[C@@:4]([O:5][C@@:6]2([H:56])[C@@:7]([O:8][H:57])([H:58])[O:9][C@:10]([C:11]([H:59])([H:60])[H:61])([H:62])[C@:12]2([O:13][H:63])[C:14](=[O:15])[H:64])([H:65])[O:16][C@:17]([C:18]([O:19][H:66])([H:67])[H:68])([H:69])[C@@:20]([O:21][H:70])([H:71])[C@:22]1([O:23][P:39]([O:38][C:37]([C@@:36]1([H:87])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:78]):[N:26]:[C:25]([N:24]([H:92])[H:93]):[C:30]:3:[N:31]:[C:32]:2[H:79])([H:80])[C@@:53]([O:54][H:90])([H:91])[C@@:51]1([O:52][H:88])[H:89])([H:85])[H:86])(=[O:40])[O:41][H:81])[H:73])[H:74])([H:75])([H:76])[H:77].[H][O:42][P:43](=[O:44])([O:45][H:82])[O:46][P:47](=[O:48])([O:49][H:83])[O:50][H:84]
Derived Operators
EVODEX.1-E78 - Reaction Operator E
[#8:17](-[#6@:16])-[H].([#8:64]-[#15:65](=[#8:66])(-[#8:67])-[#8:68]-[#15:69].[#8:93]-[#6@@:92](-[#6@@:54])(-[H:147])-[#6@:94](-[#6@:52])(-[#8:95])-[H:149])>>([#8:17](-[#6@:16])-[#15:65](-[#8:64])(=[#8:66])-[#8:67].[#8:95]-[#6@:94](-[#6@:52])(-[H:149])-[#6@@:92](-[#6@@:54])(-[#8:93])-[H:147]).[#8:68](-[#15:69])-[H]
EVODEX.1-C1346 - Reaction Operator C
[H]-[#8:23]-[#6@@:22]-[#6@@:3].([#15:39]-[#8:42].[#6@:51]-[#6@:53])>>([#8:23](-[#6@:22]-[#6@:3])-[#15:39].[#6@@:53]-[#6@@:51]).[H]-[#8:42]
EVODEX.1-N1706 - Reaction Operator N
[H]-[#8:23]-[#6@@:22](-[H:73])(-[#6@@:3](-[#7:2])(-[H:55])-[#6@@:4])-[#6@@:20].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:52]-[#6@@:51](-[#6@@:36])(-[H:89])-[#6@:53](-[#6@:34])(-[#8:54])-[H:91])>>([#7:2]-[#6@:3](-[H:55])(-[#6@@:4])-[#6@@:22](-[#6@@:20])(-[#8:23]-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:73].[#8:54]-[#6@:53](-[#6@:34])(-[H:91])-[#6@@:51](-[#6@@:36])(-[#8:52])-[H:89]).[H]-[#8:42]-[#15:43]
EVODEX.1-Em16 - Reaction Operator Em
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
EVODEX.1-Nm19 - Reaction Operator Nm
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
Source Full Reactions
EVODEX.1-R4468
[H][O:23][C@@:22]1([H:73])[C@@:3]([N:2]([C:1]([H:75])([H:76])[H:77])[H:74])([H:55])[C@@:4]([O:5][C@@:6]2([H:56])[C@@:7]([O:8][H:57])([H:58])[O:9][C@:10]([C:11]([H:59])([H:60])[H:61])([H:62])[C@:12]2([O:13][H:63])[C:14](=[O:15])[H:64])([H:65])[O:16][C@:17]([C:18]([O:19][H:66])([H:67])[H:68])([H:69])[C@@:20]1([O:21][H:70])[H:71].[N:24]([C:25]1:[N:26]:[C:27]([H:78]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:79]):[N:33]:2[C@:34]1([H:80])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:81])[O:42][P:43](=[O:44])([O:45][H:82])[O:46][P:47](=[O:48])([O:49][H:83])[O:50][H:84])([H:85])[H:86])([H:87])[C@:51]([O:52][H:88])([H:89])[C@:53]1([O:54][H:90])[H:91])([H:92])[H:93]>>[C:1]([N:2]([C@:3]1([H:55])[C@@:4]([O:5][C@@:6]2([H:56])[C@@:7]([O:8][H:57])([H:58])[O:9][C@:10]([C:11]([H:59])([H:60])[H:61])([H:62])[C@:12]2([O:13][H:63])[C:14](=[O:15])[H:64])([H:65])[O:16][C@:17]([C:18]([O:19][H:66])([H:67])[H:68])([H:69])[C@@:20]([O:21][H:70])([H:71])[C@:22]1([O:23][P:39]([O:38][C:37]([C@@:36]1([H:87])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:78]):[N:26]:[C:25]([N:24]([H:92])[H:93]):[C:30]:3:[N:31]:[C:32]:2[H:79])([H:80])[C@@:53]([O:54][H:90])([H:91])[C@@:51]1([O:52][H:88])[H:89])([H:85])[H:86])(=[O:40])[O:41][H:81])[H:73])[H:74])([H:75])([H:76])[H:77].[H][O:42][P:43](=[O:44])([O:45][H:82])[O:46][P:47](=[O:48])([O:49][H:83])[O:50][H:84]