Ethanol → N-(1,7-diphenylheptan-4-yl)-1-[2-[(2-hydroxy-3-quinolin-5-yloxypropyl)-methylamino]acetyl]piperidine-4-carboxamide

HRID 156127

反応式

HRID 156127 の反応式
[CH3:49][CH2:50][OH:51].[O:34]1[CH:35]([CH2:37][O:38][c:39]2[c:40]3[cH:41][cH:42][cH:43][n:44][c:45]3[cH:46][cH:47][cH:48]2)[CH2:36]1.[c:1]1([CH2:7][CH2:8][CH2:9][CH:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21](=[O:22])[CH:23]2[CH2:24][CH2:25][N:26]([C:29]([CH2:30][NH:31][CH3:32])=[O:33])[CH2:27][CH2:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21](=[O:22])[CH:23]2[CH2:24][CH2:25][N:26]([C:29]([CH2:30][N:31]([CH3:32])[CH2:36][CH:35]([OH:34])[CH2:37][O:38][c:39]3[c:40]4[cH:41][cH:42][cH:43][n:44][c:45]4[cH:46][cH:47][cH:48]3)=[O:33])[CH2:27][CH2:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

参加物

4

反応物 3

HCID 702EthanolHCID 112178995-(Oxiran-2-ylmethoxy)quinolineHCID 187274601-[(N-methyl)-2-aminoacetyl]-piperidine-4-carboxylic acid [4-phenyl-1-(3-phenyl-propyl)-butyl]-amide

生成物 1

HCID 18727442N-(1,7-diphenylheptan-4-yl)-1-[2-[(2-hydroxy-3-quinolin-5-yloxypropyl)-methylamino]acetyl]piperidine-4-carboxamide

出典と根拠

ORDレコード
ord-38a8a24b565d40b8bb6cb3cee18c1ec2
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

関連ノート

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