1-Butanol → 2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-cyclopropyl-N-methylbenzimidazole-4-carboxamide

反応式

[CH2:30]([OH:31])[CH2:32][CH2:33][CH3:34].[NH2:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH2:11]1)[c:12]([C:16](=[O:17])[NH:18][CH3:19])[cH:13][cH:14][cH:15]2.[NH2:20][c:21]1[n:22][cH:23][n:24][c:25]([Cl:29])[c:26]1[C:27]#[N:28]>>[NH:1]([CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH2:11]1)[c:12]([C:16](=[O:17])[NH:18][CH3:19])[cH:13][cH:14][cH:15]2)[c:25]1[n:24][cH:23][n:22][c:21]([NH2:20])[c:26]1[C:27]#[N:28]

参加物

反応物 3

HCID 2631-Butanol

HCID 122782624-Amino-6-chloropyrimidine-5-carbonitrile

HCID 674335822-(1-aminoethyl)-3-cyclopropyl-N-methylbenzimidazole-4-carboxamide

生成物 1

HCID 760444722-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-cyclopropyl-N-methylbenzimidazole-4-carboxamide

出典と根拠

ORDレコード: ord-84f5e8c835fb42329936c68e382c1104
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…