N,N-Dimethylaniline → 2,2,2-Trichloro-1-{10-[(2,2'-dimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

HRID 665929Notes

Reaction equation

HRID 665929 reaction equation
[CH3:31][N:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH3:39].[Cl:40][C:41]([C:42](=[O:43])[Cl:44])([Cl:45])[Cl:46].[Cl:47][CH2:48][Cl:49].[cH:1]1[cH:2][cH:3][n:4]2[c:5]1[CH2:6][N:7]([C:15](=[O:16])[c:17]1[cH:18][c:19]([CH3:30])[c:20](-[c:23]3[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]3)[cH:21][cH:22]1)[c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2>>[cH:1]1[cH:2][c:3]([C:42]([C:41]([Cl:40])([Cl:45])[Cl:46])=[O:43])[n:4]2[c:5]1[CH2:6][N:7]([C:15](=[O:16])[c:17]1[cH:18][c:19]([CH3:30])[c:20](-[c:23]3[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]3)[cH:21][cH:22]1)[c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2

Participants

5

Reactant 4

HCID 949N,N-DimethylanilineHCID 6344DichloromethaneHCID 6420Trichloroacetyl chlorideHCID 68680291(10,11-Dihydro-5H-pyrrolo[2,1-c](1,4]benzodiazepin-10-yl)-(2,2'-dimethyl-biphenyl-4-yl)-methanone

Product 1

HCID 160384712,2,2-Trichloro-1-{10-[(2,2'-dimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

Sources & evidence

ORD record
ord-4532f2e16a4343c1aaa374de0c04911e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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