SMIRKS
[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([H:50])([H:51])[H:52])([C:14]([H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([C:15](=[O:16])[N:17]([C@:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]1:[C:25]([H:61]):[C:26]([H:62]):[C:27]([O:28][H:63]):[C:29]([H:64]):[C:30]:1[H:65])([H:66])[H:67])([C:31](=[O:32])[N:33]([C@@:34]([C:35]([O:36][H:68])([H:69])[H:70])([C:37](=[O:38])[O:39][H:71])[H:72])[H:73])[H:74])[H:75])([C:40]([C:41]([H:76])([H:77])[H:78])([C:42]([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][O:43][H:92].[H][O:44][H:94]>>[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([H:50])([H:51])[H:52])([C:14]([H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([C:15](=[O:16])[O:43][H:92])[H:85])([H:86])[H:87])[H:88])([H:89])([H:90])[H:91].[H][N:17]([C@:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]1:[C:25]([H:61]):[C:26]([H:62]):[C:27]([O:28][H:63]):[C:29]([H:64]):[C:30]:1[H:65])([H:66])[H:67])([C:31](=[O:32])[O:44][H:94])[H:74])[H:75])([C:40]([C:41]([H:76])([H:77])[H:78])([C:42]([H:79])([H:80])[H:81])[H:82])[H:83])[H:84].[H][N:33]([C@@:34]([C:35]([O:36][H:68])([H:69])[H:70])([C:37](=[O:38])[O:39][H:71])[H:72])[H:73]
Derived Operators
EVODEX.1-E80 - Reaction Operator E
([#7:6](-[#6@:5])(-[#6:7](=[#8:8])-[#6@:9])-[H:83].[#6:40](-[#6@@:32])(=[#8:41])-[#7:42](-[#6@@:43])-[H:108]).[#8:59](-[H:119])-[H].[#8:60](-[H:121])-[H]>>[#6:7](=[#8:8])(-[#6@:9])-[#8:59]-[H:119].([#7:6](-[#6@:5])(-[H:83])-[H].[#6:40](-[#6@@:32])(=[#8:41])-[#8:60]-[H:121]).[#7:42](-[#6@@:43])(-[H:108])-[H]
EVODEX.1-C905 - Reaction Operator C
([#6:27]-[#7:29].[#6:35]-[#7:37]).[H]-[#8:68].[H]-[#8:69]>>[#6:27]-[#8:68].([H]-[#7:29].[#6:35]-[#8:69]).[H]-[#7:37]
EVODEX.1-N1802 - Reaction Operator N
([#6:15](-[#6@:5])(=[#8:16])-[#7:17](-[#6@:18])-[H:84].[#6:31](-[#6@@:22])(=[#8:32])-[#7:33](-[#6@@:34])-[H:73]).[H]-[#8:43]-[H:92].[H]-[#8:44]-[H:94]>>[#6:15](-[#6@:5])(=[#8:16])-[#8:43]-[H:92].([H]-[#7:17](-[#6@:18])-[H:84].[#6:31](-[#6@@:22])(=[#8:32])-[#8:44]-[H:94]).[H]-[#7:33](-[#6@@:34])-[H:73]
EVODEX.1-Em646 - Reaction Operator Em
([#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9].[#6:61]-[#6:62](=[#8:63])-[#7:64]-[#6:65]).[H]-[#8:94].[H]-[#8:95]>>[#6:7](=[#8:8])(-[#6:9])-[#8:94].([H]-[#7:6]-[#6:5].[#6:61]-[#6:62](=[#8:63])-[#8:95]).[H]-[#7:64]-[#6:65]
EVODEX.1-Cm155 - Reaction Operator Cm
([#7:6]-[#6:7].[#6:62]-[#7:64]).[H]-[#8:94].[H]-[#8:95]>>[#6:7]-[#8:94].([H]-[#7:6].[#6:62]-[#8:95]).[H]-[#7:64]
EVODEX.1-Nm581 - Reaction Operator Nm
([#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9].[#6:61]-[#6:62](=[#8:63])-[#7:64]-[#6:65]).[H]-[#8:94].[H]-[#8:95]>>[#6:7](=[#8:8])(-[#6:9])-[#8:94].([H]-[#7:6]-[#6:5].[#6:61]-[#6:62](=[#8:63])-[#8:95]).[H]-[#7:64]-[#6:65]
Source Full Reactions
EVODEX.1-R5625
[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([H:50])([H:51])[H:52])([C:14]([H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([C:15](=[O:16])[N:17]([C@:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]1:[C:25]([H:61]):[C:26]([H:62]):[C:27]([O:28][H:63]):[C:29]([H:64]):[C:30]:1[H:65])([H:66])[H:67])([C:31](=[O:32])[N:33]([C@@:34]([C:35]([O:36][H:68])([H:69])[H:70])([C:37](=[O:38])[O:39][H:71])[H:72])[H:73])[H:74])[H:75])([C:40]([C:41]([H:76])([H:77])[H:78])([C:42]([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][O:43][H:92].[H][O:44][H:94]>>[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([H:50])([H:51])[H:52])([C:14]([H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([C:15](=[O:16])[O:43][H:92])[H:85])([H:86])[H:87])[H:88])([H:89])([H:90])[H:91].[H][N:17]([C@:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]1:[C:25]([H:61]):[C:26]([H:62]):[C:27]([O:28][H:63]):[C:29]([H:64]):[C:30]:1[H:65])([H:66])[H:67])([C:31](=[O:32])[O:44][H:94])[H:74])[H:75])([C:40]([C:41]([H:76])([H:77])[H:78])([C:42]([H:79])([H:80])[H:81])[H:82])[H:83])[H:84].[H][N:33]([C@@:34]([C:35]([O:36][H:68])([H:69])[H:70])([C:37](=[O:38])[O:39][H:71])[H:72])[H:73]