1,2-Dichloroethane → [6-chloro-5-(o-fluorophenyl)-2,3-dihydro-1,3,3-trimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl]isocyanate

HRID 176297Notes

Reaction equation

HRID 176297 reaction equation
[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:25][C:26]([Cl:27])=[O:28].[Cl:36][CH2:37][CH2:38][Cl:39].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:23]1[Cl:24])[C:7]([c:16]1[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]1)=[N:8][C:9]([CH3:14])([CH3:15])[C:10](=[O:13])[N:11]2[CH3:12]>>[N:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([c:23]1[Cl:24])[C:7]([c:16]1[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]1)=[N:8][C:9]([CH3:14])([CH3:15])[C:10](=[O:13])[N:11]2[CH3:12])=[C:26]=[O:28]

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 6371PhosgeneHCID 8471TriethylamineHCID 205061857-amino-6-chloro-5-(o-fluorophenyl)-1,3-dihydro-1,3,3-trimethyl-2H-1,4-benzodiazepin-2-one

Product 1

HCID 20506190[6-chloro-5-(o-fluorophenyl)-2,3-dihydro-1,3,3-trimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl]isocyanate

Sources & evidence

ORD record
ord-5f53933d986846289ea51211af1cddff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…