Ethanol → 3-[[4-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-4-[3-(trifluoromethyl)phenyl]-1H-indol-2-one

HRID 306563

Reaction equation

HRID 306563 reaction equation
[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:21][CH:22]1[CH2:23][N:24]([C:29](=[O:30])[c:31]2[c:32]([CH3:38])[c:33]([CH:36]=[O:37])[nH:34][cH:35]2)[CH2:25][CH:26]([CH3:28])[NH:27]1.[CH3:45][CH2:46][OH:47].[F:1][C: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)([F:19])[F:20]>>[F:1][C: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:36][c:33]2[c:32]([CH3:38])[c:31]([C:29]([N:24]3[CH2:23][CH:22]([CH3:21])[NH:27][CH:26]([CH3:28])[CH2:25]3)=[O:30])[cH:35][nH:34]2)[cH:6][cH:7][cH:8]1)([F:19])[F:20]

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 225619054-(3-Trifluoromethyl-phenyl)-1,3-dihydro-indol-2-oneHCID 225619604-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrole-2-carbaldehyde

Product 1

HCID 697407683-[[4-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-4-[3-(trifluoromethyl)phenyl]-1H-indol-2-one

Sources & evidence

ORD record
ord-e942d7713c5f4c4dae952c9e74e7f51a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…