O-Xylene → HCID 67623947, compound

HRID 2340828Notes

Reaction equation

HRID 2340828 reaction equation
[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[c:7]([Cl:11])[cH:8][cH:9][cH:10]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[N:28]2[c:29]3[c:30]([cH:39][cH:40][cH:41][cH:42]3)[CH2:31][c:32]3[c:33]([cH:35][cH:36][cH:37][cH:38]3)[CH2:34]2)[cH:43][cH:44]1.[c:45]1([CH3:46])[c:47]([CH3:48])[cH:49][cH:50][cH:51][cH:52]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[N:28]3[c:29]4[c:30]([cH:39][cH:40][cH:41][cH:42]4)[CH2:31][c:32]4[c:33]([cH:35][cH:36][cH:37][cH:38]4)[CH2:34]3)[cH:43][cH:44]2)[c:7]([Cl:11])[cH:8][cH:9][cH:10]1

Participants

5

Reactant 4

HCID 7237O-XyleneHCID 783922,6-Dichlorobenzoyl chlorideHCID 81531DiisopropylethylamineHCID 154104675-(4-Aminobenzoyl)-6,11-dihydro-5H-dibenz[b,e]azepine

Product 1

HCID 67623947HCID 67623947, compound

Sources & evidence

ORD record
ord-124d5185889e4524a67b5191ebed7b2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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