4-(4-Isothiocyanato-3-methylphenyl)morpholine → N-(7-Fluoro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-[2-methyl-4-(4-morpholinyl)phenyl]thiourea

HRID 672438Notes

Reaction equation

HRID 672438 reaction equation
[N:22](=[C:23]=[S:24])[c:25]1[c:26]([CH3:37])[cH:27][c:28]([N:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[cH:29][cH:30]1.[NH2:1][CH:2]1[C:3](=[O:21])[N:4]([CH3:20])[c:5]2[c:6]([cH:15][c:16]([F: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:21])[N:4]([CH3:20])[c:5]2[c:6]([cH:15][c:16]([F: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:23]([NH:22][c:25]1[c:26]([CH3:37])[cH:27][c:28]([N:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[cH:29][cH:30]1)=[S:24]

Participants

3

Reactant 2

HCID 597143844-(4-Isothiocyanato-3-methylphenyl)morpholineHCID 597144553-Amino-7-fluoro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one

Product 1

HCID 59714194N-(7-Fluoro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-[2-methyl-4-(4-morpholinyl)phenyl]thiourea

Sources & evidence

ORD record
ord-23015722e92b40bbbb320585ac84ca35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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