Toluene → HCID 178422751, compound

HRID 1233785Notes

Reaction equation

HRID 1233785 reaction equation
[CH3:39][Al:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[c:3]([CH2:4][NH:5][c:6]2[n:7][c:8]3[c:9]([nH:10]2)[c:11]2[c:15]([c:16]([C:18]([O:20][CH3:19])=[O:21])[cH:17]3)[O:14][C:13]([CH3:22])([CH3:23])[CH2:12]2)[cH:24][cH:25][cH:26][cH:27]1.[F:28][C:29]([c:30]1[cH:31][c:32]([NH2:33])[cH:34][cH:35][cH:36]1)([F:37])[F:38]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][c:6]2[n:7][c:8]3[c:9]([nH:10]2)[c:11]2[c:15]([c:16]([C:18](=[O:20])[NH:33][c:32]4[cH:31][c:30]([C:29]([F:28])([F:37])[F:38])[cH:36][cH:35][cH:34]4)[cH:17]3)[O:14][C:13]([CH3:22])([CH3:23])[CH2:12]2)[cH:24][cH:25][cH:26][cH:27]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 73753-(Trifluoromethyl)anilineHCID 16682925TrimethylaluminumHCID 178497000HCID 178497000, compound

Product 1

HCID 178422751HCID 178422751, compound

Sources & evidence

ORD record
ord-f7bc52fdb3fb4d0aab18066b1690a063
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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