4-Methyloxybenzyl chloride → 2-(4-{4-[4-(tert-butyl)phenyl]-2-hydroxybutyl}piperazinyl)-N-(2,6-dimethylphenyl)acetamide

HRID 301372

反応式

HRID 301372 の反応式
[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][c:39]([CH2:40][Cl:41])[cH:42][cH:43]1.[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[OH:30])[CH2:16][CH2:17]2)=[O:31])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([CH2:50][Cl:51])[cH:52][cH:53]1>>[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:26][cH:27]3)[OH:30])[CH2:16][CH2:17]2)=[O:31])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1

参加物

4

反応物 3

HCID 699934-Methyloxybenzyl chlorideHCID 88198Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-HCID 12052937N-(2,6-dimethylphenyl)-2-{4-[4-(4-methoxyphenyl)-2-hydroxybutyl]piperazinyl}acetamide

生成物 1

HCID 102757712-(4-{4-[4-(tert-butyl)phenyl]-2-hydroxybutyl}piperazinyl)-N-(2,6-dimethylphenyl)acetamide

出典と根拠

ORDレコード
ord-6f4a97168fec4a5ebd7602c8d3c9f4bf
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

関連ノート

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