2-(Hydroxyethyl)benzimidazole → 2-(4-((2-(2-(2-hydroxyethyl)-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropan-1-ol

HRID 284238

반응식

HRID 284238 반응식
[Cl:1][c:2]1[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([CH2:20][OH:21])([CH3:22])[CH3:23])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1.[nH:30]1[c:31]([CH2:39][CH2:40][OH:41])[n:32][c:33]2[c:34]1[cH:35][cH:36][cH:37][cH:38]2>>[c:2]1(-[n:30]2[c:31]([CH2:39][CH2:40][OH:41])[n:32][c:33]3[c:34]2[cH:35][cH:36][cH:37][cH:38]3)[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([CH2:20][OH:21])([CH3:22])[CH3:23])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1

참가 물질

3

반응물 2

HCID 785702-(Hydroxyethyl)benzimidazoleHCID 866482512-(4-((2-chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropan-1-ol

생성물 1

HCID 596061562-(4-((2-(2-(2-hydroxyethyl)-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropan-1-ol

출처 및 근거

ORD 기록
ord-459905740ff94f069b5d728bdb3fe1b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…