1,1-Dichloroethane → N-[7-chloro-2,3-dihydro-2-oxo-5-phenyl-1-(2-propenyl)-1H-1,4-benzodiazepin-3-yl]-N'-[4-(dimethylamino)-1-naphthalenyl]-thiourea

HRID 143490Notes

Reaction equation

HRID 143490 reaction equation
[Cl:40][CH:41]([Cl:42])[CH3:43].[N:24](=[C:25]=[S:26])[c:27]1[cH:28][cH:29][c:30]([N:37]([CH3:38])[CH3:39])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12.[NH2:1][CH:2]1[C:3](=[O:23])[N:4]([CH2:20][CH:21]=[CH2:22])[c:5]2[c:6]([cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[C:7]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[N:8]1>>[NH:1]([CH:2]1[C:3](=[O:23])[N:4]([CH2:20][CH:21]=[CH2:22])[c:5]2[c:6]([cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[C:7]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[N:8]1)[C:25]([NH:24][c:27]1[cH:28][cH:29][c:30]([N:37]([CH3:38])[CH3:39])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12)=[S:26]

Participants

4

Reactant 3

HCID 63651,1-DichloroethaneHCID 1224654-Isothiocyanato-N,N-dimethyl-1-naphthalenamineHCID 597137233-amino-7-chloro-1,3-dihydro-5-phenyl-1-(2-propenyl)-2H-1,4-benzodiazepin-2-one

Product 1

HCID 59713761N-[7-chloro-2,3-dihydro-2-oxo-5-phenyl-1-(2-propenyl)-1H-1,4-benzodiazepin-3-yl]-N'-[4-(dimethylamino)-1-naphthalenyl]-thiourea

Sources & evidence

ORD record
ord-434cd2eeec6f48f685914cdcce21b0f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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