EVODEX.1-P565

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:79])([H:80])[H:81])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([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][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]:[C:33]([N:34]([H:88])[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:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:79])([H:80])[H:81])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([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].[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]:[C:33]([N:34]([H:88])[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]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E293 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#6:9](-[#6:10])(-[H:63])-[H].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[#6:8]-[#6:9](-[#6:10])(-[#8:40]-[H])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29].[#8:41](-[H])-[H]

EVODEX.1-C216 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:9].[H]-[#6@:28]-[#7:39]-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9].[#6:28]=[#7:39].[H]-[#8:41]-[H]

EVODEX.1-N193 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:9](-[#6:8])(-[#6:10])-[H:63].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])(-[#6:10])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

EVODEX.1-Em275 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:9](-[#6:8])-[#6:10].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])-[#6:10].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

EVODEX.1-Cm194 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:9].[H]-[#6:28]-[#7:39]-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9].[#6:28]=[#7:39].[H]-[#8:41]-[H]

EVODEX.1-Nm273 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:9](-[#6:8])-[#6:10].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])-[#6:10].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

Source Full Reactions

EVODEX.1-R537

Full Reaction Rendering

[H][C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:79])([H:80])[H:81])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([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][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]:[C:33]([N:34]([H:88])[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:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:79])([H:80])[H:81])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([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].[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]:[C:33]([N:34]([H:88])[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]