Ethanol → 2-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one

HRID 170219Notes

Reaction equation

HRID 170219 reaction equation
[CH2:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH3:1][c:2]1[c:3]([CH:21]=[O:22])[nH:4][c:5]2[c:6]1[C:7](=[O:20])[N:8]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[CH2:9][CH2:10][CH2:11]2.[CH3:51][CH2:52][OH:53].[Cl:23][c:24]1[c:25]([CH2:31][S:32](=[O:33])(=[O:34])[c:35]2[cH:36][c:37]3[c:41]([cH:42][cH:43]2)[NH:40][C:39](=[O:44])[CH2:38]3)[c:26]([Cl:30])[cH:27][cH:28][cH:29]1>>[CH3:1][c:2]1[c:3]([CH:21]=[C:38]2[c:37]3[cH:36][c:35]([S:32]([CH2:31][c:25]4[c:24]([Cl:23])[cH:29][cH:28][cH:27][c:26]4[Cl:30])(=[O:33])=[O:34])[cH:43][cH:42][c:41]3[NH:40][C:39]2=[O:44])[nH:4][c:5]2[c:6]1[C:7](=[O:20])[N:8]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[CH2:9][CH2:10][CH2:11]2

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 181797685-(2,6-Dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-oneHCID 592500683-Methyl-5-(2-morpholin-4-yl-ethyl)-4-oxo-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde

Product 1

HCID 685237262-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one

Sources & evidence

ORD record
ord-c918cb1d60ea49b8831a09cab61ca444
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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