Isopropanol → HCID 67342802, compound

HRID 694448Notes

Reaction equation

HRID 694448 reaction equation
[CH3:54][CH:55]([OH:56])[CH3:57].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[NH2:23][CH:24]1[CH2:25][CH2:26][CH:27]2[CH2:28][C:29](=[O:44])[N:30]([CH2:33][c:34]3[c:35]([O:42][CH3:43])[cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]3)[CH:31]2[CH2:32]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][CH:27]3[CH2:28][C:29](=[O:44])[N:30]([CH2:33][c:34]4[c:35]([O:42][CH3:43])[cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]4)[CH:31]3[CH2:32]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridineHCID 67324738HCID 67324738, compound

Product 1

HCID 67342802HCID 67342802, compound

Sources & evidence

ORD record
ord-c22c380d73e242fc9abf48e0ddaf607e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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