4-Chlorophenyl Isocyanate → 1-(4-chlorophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea

HRID 89617Notes

Reaction equation

HRID 89617 reaction equation
[CH3:1][N:2]1[C:3](=[O:20])[CH:4]([NH2:19])[N:5]=[C:6]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[Cl:21][c:22]1[cH:23][cH:24][c:25]([N:28]=[C:29]=[O:30])[cH:26][cH:27]1.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[CH3:1][N:2]1[C:3](=[O:20])[CH:4]([NH:19][C:29]([NH:28][c:25]2[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]2)=[O:30])[N:5]=[C:6]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

4

Reactant 3

HCID 76934-Chlorophenyl IsocyanateHCID 8028TetrahydrofuranHCID 27296813-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one

Product 1

HCID 100706771-(4-chlorophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea

Sources & evidence

ORD record
ord-113da54ba94244cb91d1615db30712b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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