Isopropanol → HCID 67345319, compound

HRID 1209162Notes

Reaction equation

HRID 1209162 reaction equation
[CH3:46][CH:47]([OH:48])[CH3:49].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[NH2:23][CH:24]1[CH2:25][N:26]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:27][CH2:28][CH2:29]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[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:23][CH:24]2[CH2:25][N:26]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:27][CH2:28][CH2:29]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 5458091-BOC-3-AminopiperidineHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine

Product 1

HCID 67345319HCID 67345319, compound

Sources & evidence

ORD record
ord-033454b216574a518f7e5e251ee592c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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