Ethanol → 3-[3,5-dimethyl 4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-4-(3-methoxy-phenyl)-1,3-dihydro-indol-2-one

HRID 161425

Reaction equation

HRID 161425 reaction equation
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:19][c:20]1[c:21]([CH:35]=[O:36])[nH:22][c:23]([CH3:34])[c:24]1[C:25](=[O:26])[N:27]1[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]1.[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[NH:13][C:12](=[O:18])[CH2:11]3)[cH:6][cH:7][cH:8]1.[CH3:43][CH2:44][OH:45]>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[NH:13][C:12](=[O:18])[C:11]3=[CH:35][c:21]2[c:20]([CH3:19])[c:24]([C:25](=[O:26])[N:27]3[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[c:23]([CH3:34])[nH:22]2)[cH:6][cH:7][cH:8]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 121115823,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehydeHCID 225618094-(3-Methoxy-phenyl)-1,3-dihydro indol-2-one

Product 1

HCID 249426543-[3,5-dimethyl 4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-4-(3-methoxy-phenyl)-1,3-dihydro-indol-2-one

Sources & evidence

ORD record
ord-4c9b2a12b8d1479a8276467a0af5c689
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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