Isopropanol → HCID 67345594, compound

HRID 1566191Notes

Reaction equation

HRID 1566191 reaction equation
[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[N:30]1[CH2:31][CH:32]([NH2:35])[CH2:33][CH2:34]1.[CH3:45][CH:46]([OH:47])[CH3:48].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[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:35][CH:32]2[CH2:31][N:30]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:34][CH2:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 27566131-Benzyl-3-aminopyrrolidineHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine

Product 1

HCID 67345594HCID 67345594, compound

Sources & evidence

ORD record
ord-351c7154e2d841b89a4b2d626ac6a314
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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