Ethanol → 2-Oxo-3-[5-(2-pyrrolidin-1-yl-ethoxy)-1H-indol-2-ylmethylene]-2,3-dihydro-1H-indole-5-sulfonic acid amide

HRID 158583

Reaction equation

HRID 158583 reaction equation
[CH2:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:40][CH2:41][OH:42].[N:15]1([CH2:20][CH2:21][O:22][c:23]2[cH:24][c:25]3[cH:26][c:27]([CH:32]=[O:33])[nH:28][c:29]3[cH:30][cH:31]2)[CH2:16][CH2:17][CH2:18][CH2:19]1.[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][c:7]([S:11](=[O:12])(=[O:13])[NH2:14])[cH:8][c:9]2[CH2:10]1>>[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][c:7]([S:11](=[O:12])(=[O:13])[NH2:14])[cH:8][c:9]2[C:10]1=[CH:32][c:27]1[cH:26][c:25]2[cH:24][c:23]([O:22][CH2:21][CH2:20][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[cH:31][cH:30][c:29]2[nH:28]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 101982322-Oxoindoline-5-sulfonamideHCID 220420925-(2-pyrrolidin-1-yl-ethoxy)-1H-indole-2-carbaldehyde

Product 1

HCID 693440832-Oxo-3-[5-(2-pyrrolidin-1-yl-ethoxy)-1H-indol-2-ylmethylene]-2,3-dihydro-1H-indole-5-sulfonic acid amide

Sources & evidence

ORD record
ord-bdad4bb3b98944339d8ba5563244bf42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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