Isopropanol → HCID 178462582, compound

HRID 1139497Notes

Reaction equation

HRID 1139497 reaction equation
[CH2:23]([CH3:24])[N:25]1[CH2:26][CH:27]([F:32])[CH:28]([NH2:31])[CH2:29][CH2:30]1.[CH3:42][CH:43]([OH:44])[CH3:45].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[Cl:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[NH:31][CH:28]2[CH:27]([F:32])[CH2:26][N:25]([CH2:23][CH3:24])[CH2:30][CH2:29]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 58266631HCID 58266631, compoundHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine

Product 1

HCID 178462582HCID 178462582, compound

Sources & evidence

ORD record
ord-ff5c5b97a36d4509b032eb00e91cfe09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…