Isopropanol → 3-(1-Benzylindol-3-yl)butanal

HRID 1140468

Reaction equation

HRID 1140468 reaction equation
[CH2:37]([CH:38]1[NH:39][CH:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[N:45]([CH3:46])[C:47]1=[O:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[n:13]1[cH:14][cH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12.[CH:1]([CH:2]=[CH:3][CH3:4])=[O:5].[CH:58]([OH:59])([CH3:60])[CH3:61].[Cl:55][CH2:56][Cl:57].[N+:22]([c:23]1[cH:24][c:25]([N+:26]([O-:27])=[O:28])[cH:29][cH:30][c:31]1[C:32]([OH:33])=[O:34])([O-:35])=[O:36]>>[CH:1]([CH2:2][CH:3]([CH3:4])[c:15]1[cH:14][n:13]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[c:21]2[c:16]1[cH:17][cH:18][cH:19][cH:20]2)=[O:5]

Participants

7

Reactant 6

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 118802,4-Dinitrobenzoic acidHCID 20138But-2-enalHCID 969131-BenzylindoleHCID 46817245-Benzyl-2-tert-butyl-3-methylimidazolidin-4-one

Product 1

HCID 234962973-(1-Benzylindol-3-yl)butanal

Sources & evidence

ORD record
ord-1550ba7a6407421ca346053f8ec7c6c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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