Dimethylformamide → 3-fluoro-1,3-dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one

HRID 116480Notes

Reaction equation

HRID 116480 reaction equation
[F:1][CH:2]1[C:3](=[O:32])[NH:4][c:5]2[c:6]([cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]2)[CH:7]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[N:8]1[S:9]([c:10]1[cH:11][cH:12][c:13]([CH3:14])[cH:15][cH:16]1)(=[O:17])=[O:18].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([N:39]2[CH:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:47]3[cH:48][c:49]([N+:50]([O-:51])=[O:52])[cH:53][cH:54][c:55]3[NH:56][C:57](=[O:58])[CH2:59]2)(=[O:60])=[O:61])[cH:62][cH:63]1>>[F:1][CH:2]1[C:3](=[O:32])[NH:4][c:5]2[c:6]([cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]2)[C:7]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[N:8]1

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 233326554-p-toluenesulfonyl-5-phenyl-7-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-oneHCID 233326753-fluoro-4-p-toluenesulfonyl-5-phenyl-7-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

Product 1

HCID 131259943-fluoro-1,3-dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one

Sources & evidence

ORD record
ord-59fe22205bdc446aaec0b614ed6b6e7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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