Toluene → HCID 178428514, compound

HRID 106039Notes

Reaction equation

HRID 106039 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[n:3][cH:4][cH:5][c:6]([CH3:27])[c:7]1[NH:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[c:14]1[c:18]([c:19]([C:21]([O:23][CH3:22])=[O:24])[cH:20]2)[O:17][C:16]([CH3:25])([CH3:26])[CH2:15]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[n:3][cH:4][cH:5][c:6]([CH3:27])[c:7]1[NH:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[c:14]1[c:18]([c:19]([C:21](=[O:23])[NH:33][c:32]3[cH:31][c:30]([C:29]([F:28])([F:37])[F:38])[cH:36][cH:35][cH:34]3)[cH:20]2)[O:17][C:16]([CH3:25])([CH3:26])[CH2:15]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 73753-(Trifluoromethyl)anilineHCID 16682925TrimethylaluminumHCID 178496984HCID 178496984, compound

Product 1

HCID 178428514HCID 178428514, compound

Sources & evidence

ORD record
ord-0bbd15165a3c40c5b5daace9cc6f1b75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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