Toluene → HCID 88039342, compound

HRID 1142477Notes

Reaction equation

HRID 1142477 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:10]([O:22][C:23]([c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)=[O:38])[CH2:11][CH2:12][CH:13]1[CH:14]([c:16]1[n:17][n:18][n:19][n:20]1[CH3:21])[CH2:15]2.[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][Ti:58]([CH3:59])([C:60]1=[CH:64][CH:63]=[CH:62][CH2:61]1)[C:65]1=[CH:69][CH:68]=[CH:67][CH2:66]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:10]([O:22][C:23]([c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)=[CH2:45])[CH2:11][CH2:12][CH:13]1[CH:14]([c:16]1[n:17][n:18][n:19][n:20]1[CH3:21])[CH2:15]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 3283Diethyl EtherHCID 88038894HCID 88038894, compoundHCID 178477791HCID 178477791, compound

Product 1

HCID 88039342HCID 88039342, compound

Sources & evidence

ORD record
ord-53db9e22abf1462ab951307f52feb747
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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