1,2-Dichloroethane → 1-[4-(5,6,7,8-Tetrahydro-1H-pyrrolo[3,2-b]azepine-4-carbonyl)piperidin-1-yl]-ethanone

HRID 193946

Reaction equation

HRID 193946 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[OH:12])[CH2:8][CH2:9]1.[CH2:13]([Cl:14])[CH2:15][Cl:16].[Cl:37][CH2:38][Cl:39].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1.[nH:27]1[cH:28][cH:29][c:30]2[c:36]1[CH2:35][CH2:34][CH2:33][CH2:32][NH:31]2>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:12])[N:31]2[c:30]3[cH:29][cH:28][nH:27][c:36]3[CH2:35][CH2:34][CH2:33][CH2:32]2)[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 1172551-Acetylpiperidine-4-carboxylic acidHCID 225617901,4,5,6,7,8-Hexahydropyrrolo[3,2-B]azepine

Product 1

HCID 225618581-[4-(5,6,7,8-Tetrahydro-1H-pyrrolo[3,2-b]azepine-4-carbonyl)piperidin-1-yl]-ethanone

Sources & evidence

ORD record
ord-9f3eea5e9e9a4a54a52232c435f9eb76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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