4-Chlorophenyl Isocyanate → HCID 10432393, compound

HRID 1571595Notes

Reaction equation

HRID 1571595 reaction equation
[Cl:21][c:22]1[cH:23][cH:24][c:25]([N:28]=[C:29]=[O:30])[cH:26][cH:27]1.[NH2:1][CH:2]1[C:3](=[O:20])[NH:4][c:5]2[c:6]([cH:16][cH:17][cH:18][cH:19]2)[C:7]([c:9]2[c:10]([F:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[NH:1]([CH:2]1[C:3](=[O:20])[NH:4][c:5]2[c:6]([cH:16][cH:17][cH:18][cH:19]2)[C:7]([c:9]2[c:10]([F:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1)[C:29]([NH:28][c:25]1[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]1)=[O:30]

Participants

4

Reactant 3

HCID 76934-Chlorophenyl IsocyanateHCID 8028TetrahydrofuranHCID 156371501,3-dihydro-5-(2-fluorophenyl)-3-amino-2H-1,4-benzodiazepin-2-one

Product 1

HCID 10432393HCID 10432393, compound

Sources & evidence

ORD record
ord-6031ca14ae2e4b88a23308d052bc40f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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