EVODEX.1-P6159

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:38][C:36]([C:35]([C:34]1:[C:25]2:[N:26]([H:71]):[C:27](:[C:28]:1[C:29]([C:30]([C:31](=[O:32])[O:33][H:72])([H:73])[H:74])([H:75])[H:76])[C:39]([H:80])([H:81])[C:40]1:[N:41]([H:82]):[C:42](:[C:43]([C:44]([H:83])([H:84])[H:85]):[C:45]:1[C:46]([C:47]([C:48](=[O:49])[O:50][H:86])([H:87])[H:88])([H:89])[H:90])[C:51]([H:91])([H:92])[C:3]1:[C:2]([C:1]([H:93])([H:94])[H:95]):[C:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:53])([H:54])[H:55])([H:56])[H:57]):[C:5](:[N:4]:1[H:52])[C:12]([H:58])([H:59])[C:13]1:[N:14]([H:60]):[C:15](:[C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][H:61])([H:62])[H:63])([H:64])[H:65]):[C:22]:1[C:23]([H:66])([H:67])[H:68])[C:24]2([H:69])[H:70])([H:78])[H:79])=[O:37]>>[C:36](=[O:37])=[O:38].[H][C:35]([C:34]1:[C:25]2:[N:26]([H:71]):[C:27](:[C:28]:1[C:29]([C:30]([C:31](=[O:32])[O:33][H:72])([H:73])[H:74])([H:75])[H:76])[C:39]([H:80])([H:81])[C:40]1:[N:41]([H:82]):[C:42](:[C:43]([C:44]([H:83])([H:84])[H:85]):[C:45]:1[C:46]([C:47]([C:48](=[O:49])[O:50][H:86])([H:87])[H:88])([H:89])[H:90])[C:51]([H:91])([H:92])[C:3]1:[C:2]([C:1]([H:93])([H:94])[H:95]):[C:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:53])([H:54])[H:55])([H:56])[H:57]):[C:5](:[N:4]:1[H:52])[C:12]([H:58])([H:59])[C:13]1:[N:14]([H:60]):[C:15](:[C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][H:61])([H:62])[H:63])([H:64])[H:65]):[C:22]:1[C:23]([H:66])([H:67])[H:68])[C:24]2([H:69])[H:70])([H:78])[H:79]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E110 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:52]-[#6:53](-[#6:54](=[#8:55])-[#8:56]-[H])(-[H:79])-[H:80]>>[#6:54](=[#8:55])=[#8:56].[#6:52]-[#6:53](-[H:79])(-[H:80])-[H]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N911 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#6:2](=[#8:1])-[#6:4](-[#6:5])(-[H:19])-[H:20]>>[H]-[#6:4](-[#6:5])(-[H:19])-[H:20].[#8:1]=[#6:2]=[#8:3]

EVODEX.1-Em720 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#6:2](=[#8:1])-[#6:4]-[#6:5]>>[H]-[#6:4]-[#6:5].[#8:1]=[#6:2]=[#8:3]

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm649 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#6:2](=[#8:1])-[#6:4]-[#6:5]>>[H]-[#6:4]-[#6:5].[#8:1]=[#6:2]=[#8:3]

Source Full Reactions

EVODEX.1-R6766

Full Reaction Rendering

[H][O:38][C:36]([C:35]([C:34]1:[C:25]2:[N:26]([H:71]):[C:27](:[C:28]:1[C:29]([C:30]([C:31](=[O:32])[O:33][H:72])([H:73])[H:74])([H:75])[H:76])[C:39]([H:80])([H:81])[C:40]1:[N:41]([H:82]):[C:42](:[C:43]([C:44]([H:83])([H:84])[H:85]):[C:45]:1[C:46]([C:47]([C:48](=[O:49])[O:50][H:86])([H:87])[H:88])([H:89])[H:90])[C:51]([H:91])([H:92])[C:3]1:[C:2]([C:1]([H:93])([H:94])[H:95]):[C:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:53])([H:54])[H:55])([H:56])[H:57]):[C:5](:[N:4]:1[H:52])[C:12]([H:58])([H:59])[C:13]1:[N:14]([H:60]):[C:15](:[C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][H:61])([H:62])[H:63])([H:64])[H:65]):[C:22]:1[C:23]([H:66])([H:67])[H:68])[C:24]2([H:69])[H:70])([H:78])[H:79])=[O:37]>>[C:36](=[O:37])=[O:38].[H][C:35]([C:34]1:[C:25]2:[N:26]([H:71]):[C:27](:[C:28]:1[C:29]([C:30]([C:31](=[O:32])[O:33][H:72])([H:73])[H:74])([H:75])[H:76])[C:39]([H:80])([H:81])[C:40]1:[N:41]([H:82]):[C:42](:[C:43]([C:44]([H:83])([H:84])[H:85]):[C:45]:1[C:46]([C:47]([C:48](=[O:49])[O:50][H:86])([H:87])[H:88])([H:89])[H:90])[C:51]([H:91])([H:92])[C:3]1:[C:2]([C:1]([H:93])([H:94])[H:95]):[C:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:53])([H:54])[H:55])([H:56])[H:57]):[C:5](:[N:4]:1[H:52])[C:12]([H:58])([H:59])[C:13]1:[N:14]([H:60]):[C:15](:[C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][H:61])([H:62])[H:63])([H:64])[H:65]):[C:22]:1[C:23]([H:66])([H:67])[H:68])[C:24]2([H:69])[H:70])([H:78])[H:79]