Toluene → HCID 178425056, compound

HRID 1120432

Reaction equation

HRID 1120432 reaction equation
[CH3:38][Al:39]([CH3:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24]([O:26][CH3:25])=[O:27])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[F:28][c:29]1[c:30]([NH2:31])[cH:32][cH:33][c:34]([F:37])[c:35]1[F:36]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:26])[NH:31][c:30]2[c:29]([F:28])[c:35]([F:36])[c:34]([F:37])[cH:33][cH:32]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 774682,3,4-TrifluoroanilineHCID 16682925TrimethylaluminumHCID 178496983HCID 178496983, compound

Product 1

HCID 178425056HCID 178425056, compound

Sources & evidence

ORD record
ord-7553127d4d404c1d92476e3ee516d6b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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