Toluene → HCID 86664711, compound

HRID 1212438Notes

Reaction equation

[CH3:41][Al:42]([CH3:43])[CH3:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]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]1[c:31]([C:37]([F:38])([F:39])[F:40])[cH:32][c:33]([NH2:34])[cH:35][cH:36]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])[NH:34][c:33]3[cH:32][c:31]([C:37]([F:38])([F:39])[F:40])[c:30]([F:29])[cH:36][cH:35]3)[cH:21]2)[O:18][C:17]([CH3:26])([CH3:27])[CH2:16]1

Participants

Reactant 4

HCID 1140Toluene

HCID 753774-Fluoro-3-(trifluoromethyl)aniline

HCID 16682925Trimethylaluminum

HCID 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 86664711HCID 86664711, compound

Sources & evidence

ORD record: ord-e681bfa2177c4371909c6e6facd5698a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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