Toluene → HCID 67503296, compound

HRID 152069Notes

Reaction equation

HRID 152069 reaction equation
[CH3:40][Al:41]([CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:28])[c:7]1[NH:8][c:9]1[n:10][c:11]2[c:12]([n:13]1[CH3:14])[c:15]1[c:19]([c:20]([C:22]([O:24][CH3:23])=[O:25])[cH:21]2)[O:18][C:17]([CH3:26])([CH3:27])[CH2:16]1.[F:29][C:30]([c:31]1[cH:32][cH:33][c:34]([NH2:35])[cH:36][cH:37]1)([F:38])[F:39]>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:28])[c:7]1[NH:8][c:9]1[n:10][c:11]2[c:12]([n:13]1[CH3:14])[c:15]1[c:19]([c:20]([C:22](=[O:24])[NH:35][c:34]3[cH:33][cH:32][c:31]([C:30]([F:29])([F:38])[F:39])[cH:37][cH:36]3)[cH:21]2)[O:18][C:17]([CH3:26])([CH3:27])[CH2:16]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 99644-(Trifluoromethyl)anilineHCID 16682925TrimethylaluminumHCID 67502200Methyl 2-((3,5-dichloropyridin-4-yl)amino)-1,7,7-trimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxylate

Product 1

HCID 67503296HCID 67503296, compound

Sources & evidence

ORD record
ord-e3e8cec70a5e41f182f2314edb04235f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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