Ethanol → 2-[(7-bromo-5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one

HRID 694989Notes

Reaction equation

HRID 694989 reaction equation
[Br:25][c:26]1[cH:27][c:28]([F:36])[cH:29][c:30]2[c:34]1[NH:33][C:32](=[O:35])[CH2:31]2.[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:43][CH2:44][OH:45].[OH:1][CH:2]([CH2:3][N:4]1[C:5](=[O:17])[c:6]2[c:7]([nH:11][c:12]([CH:15]=[O:16])[c:13]2[CH3:14])[CH2:8][CH2:9][CH2:10]1)[CH2:18][N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1>>[OH:1][CH:2]([CH2:3][N:4]1[C:5](=[O:17])[c:6]2[c:7]([nH:11][c:12]([CH:15]=[C:31]3[c:30]4[cH:29][c:28]([F:36])[cH:27][c:26]([Br:25])[c:34]4[NH:33][C:32]3=[O:35])[c:13]2[CH3:14])[CH2:8][CH2:9][CH2:10]1)[CH2:18][N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 534188887-Bromo-5-fluoroindolin-2-oneHCID 722615235-(2-Hydroxy-3-morpholin-4-yl-propyl)-3-methyl-4-oxo-1,4,5,6,7,8-hexahydro-pyrrol o[3,2-c]azepine-2-carbaldehyde

Product 1

HCID 685278392-[(7-bromo-5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one

Sources & evidence

ORD record
ord-ec48d679ff164a6bad2d1610799614e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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