SMIRKS
[H][C:2]([C:1]([H:79])([H:80])[H:81])([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]([O:18][H:42])([C:19]([O:20][H:43])([C:21]([O:22][H:44])([H:45])[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][C@:28]1([C@:26]([C@:24]([C:23]([H:94])([H:95])[H:96])([O:25][H:82])[H:93])([O:27][H:83])[H:92])[C:29]([H:85])([H:86])[N:30]([H:87])[C:31]2:[N:32]([H:88]):[C:33](=[N:34][H:89]):[N:35]([H:90]):[C:36](=[O:37]):[C:38]:2[N:39]1[H]>>[H]O[C:2]([C:1]([H:79])([H:80])[H:81])([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]([O:18][H:42])([C:19]([O:20][H:43])([C:21]([O:22][H:44])([H:45])[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:23]([C@:24]([O:25][H:82])([C@:26]([O:27][H:83])([C:28]1=[N:39][C:38]2:[C:31](:[N:32]([H:88]):[C:33](=[N:34][H:89]):[N:35]([H:90]):[C:36]:2=[O:37])[N:30]([H:87])[C:29]1([H:85])[H:86])[H:92])[H:93])([H:94])([H:95])[H:96]
Derived Operators
EVODEX.1-M29 - Mass Difference
13.97924
EVODEX.1-E428 - Reaction Operator E
[#6:8]-[#6:9](-[#6:10])(-[H:63])-[H].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[#6:8]-[#6:9](-[#6:10])(-[#8]-[H])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-C219 - Reaction Operator C
[H]-[#6:2].[H]-[#6@:28]-[#7:39]-[H]>>[H]-[#8]-[#6:2].[#6:28]=[#7:39]
EVODEX.1-N196 - Reaction Operator N
[H]-[#6:2](-[#6:1])(-[#6:3])-[H:77].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])(-[#6:3])-[H:77].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-Em278 - Reaction Operator Em
[H]-[#6:2](-[#6:1])-[#6:3].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-Cm197 - Reaction Operator Cm
[H]-[#6:2].[H]-[#6:28]-[#7:39]-[H]>>[#8]-[#6:2].[#6:28]=[#7:39]
EVODEX.1-Nm276 - Reaction Operator Nm
[H]-[#6:2](-[#6:1])-[#6:3].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29]
Source Full Reactions
EVODEX.1-R536
[H][C:2]([C:1]([H:79])([H:80])[H:81])([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]([O:18][H:42])([C:19]([O:20][H:43])([C:21]([O:22][H:44])([H:45])[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][C@:28]1([C@:26]([C@:24]([C:23]([H:94])([H:95])[H:96])([O:25][H:82])[H:93])([O:27][H:83])[H:92])[C:29]([H:85])([H:86])[N:30]([H:87])[C:31]2:[N:32]([H:88]):[C:33](=[N:34][H:89]):[N:35]([H:90]):[C:36](=[O:37]):[C:38]:2[N:39]1[H].[O:40]=[O:41]>>[H][O:40][C:2]([C:1]([H:79])([H:80])[H:81])([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]([O:18][H:42])([C:19]([O:20][H:43])([C:21]([O:22][H:44])([H:45])[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:23]([C@:24]([O:25][H:82])([C@:26]([O:27][H:83])([C:28]1=[N:39][C:38]2:[C:31](:[N:32]([H:88]):[C:33](=[N:34][H:89]):[N:35]([H:90]):[C:36]:2=[O:37])[N:30]([H:87])[C:29]1([H:85])[H:86])[H:92])[H:93])([H:94])([H:95])[H:96].[H][O:41][H]