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

HRID 309647Notes

Reaction equation

HRID 309647 reaction equation
[Cl:39][CH:40]([Cl:41])[CH3:42].[N:23](=[C:24]=[S:25])[c:26]1[cH:27][cH:28][c:29]([N:36]([CH3:37])[CH3:38])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]12.[NH2:1][CH:2]1[C:3](=[O:22])[N:4]([CH3:21])[c:5]2[c:6]([cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[C:7]([c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1>>[NH:1]([CH:2]1[C:3](=[O:22])[N:4]([CH3:21])[c:5]2[c:6]([cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[C:7]([c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1)[C:24]([NH:23][c:26]1[cH:27][cH:28][c:29]([N:36]([CH3:37])[CH3:38])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]12)=[S:25]

Participants

4

Reactant 3

HCID 63651,1-DichloroethaneHCID 1224654-Isothiocyanato-N,N-dimethyl-1-naphthalenamineHCID 223123223-amino-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one

Product 1

HCID 10239836N-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-[4-(dimethylamino)-1-naphthalenyl]-thiourea

Sources & evidence

ORD record
ord-e42df770b1b74a7094b462acc8cb3f5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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