Triethylamine → (+)-5-(o-fluorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-thione

HRID 2145510Notes

Reaction equation

HRID 2145510 reaction equation
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[F:1][c:2]1[c:3]([C:8]2=[N:9][CH:10]([CH3:23])[C:11](=[O:22])[NH:12][c:13]3[c:14]2[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[P:24]12(=[S:25])[S:26][P:27]3(=[S:37])[S:28][P:29](=[S:35])([S:30][P:31](=[S:34])([S:32]3)[S:33]1)[S:36]2>>[F:1][c:2]1[c:3]([C:8]2=[N:9][CH:10]([CH3:23])[C:11](=[S:25])[NH:12][c:13]3[c:14]2[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 8471TriethylamineHCID 14817Phosphorus sulfide (P2S5)HCID 312751,4-DioxaneHCID 20542078(+)-5-(o-fluorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one

Product 1

HCID 21428189(+)-5-(o-fluorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-thione

Sources & evidence

ORD record
ord-3b1c3e5dd3464f499456fe7d9297b0f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…