Isopropanol → HCID 67343446, compound

HRID 1539543Notes

Reaction equation

HRID 1539543 reaction equation
[CH3:50][CH:51]([OH:52])[CH3:53].[CH3:8][S:9](=[O:10])(=[O:11])[CH:12]1[CH2:13][CH2:14][CH:15]([NH2:18])[CH2:16][CH2:17]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[c:19]1([S:25](=[O:26])(=[O:27])[n:28]2[cH:29][cH:30][c:31]3[c:32]2[n:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[c:36]3[Cl:37])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH3:8][S:9](=[O:10])(=[O:11])[CH:12]1[CH2:13][CH2:14][CH:15]([NH:18][c:36]2[c:31]3[cH:30][cH:29][n:28]([S:25]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)(=[O:26])=[O:27])[c:32]3[n:33][cH:34][c:35]2[N+:38](=[O:39])[O-:40])[CH2:16][CH2:17]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 24689381HCID 24689381, compoundHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine

Product 1

HCID 67343446HCID 67343446, compound

Sources & evidence

ORD record
ord-a407ce29df1a4d8e83165c1e17d6e334
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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