Isopropanol → HCID 60170863, compound

HRID 314258Notes

Reaction equation

HRID 314258 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][CH2:26][N:27]([CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[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][CH2:26][N:27]([CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:28][CH2:29]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 4158521-Benzyl-4-piperidylamineHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine

Product 1

HCID 60170863HCID 60170863, compound

Sources & evidence

ORD record
ord-7d576a3fb0c9402184dd339edfa11cc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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