Piperazine → 5-(9-Isobutyl-6-morpholino-8-(piperazin-1-yl)-9H-purin-2-yl)pyrimidin-2-amine

반응식

[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6]1.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[Cl:7][c:8]1[n:9]([CH2:30][CH:31]([CH3:32])[CH3:33])[c:10]2[n:11][c:12](-[c:23]3[cH:24][n:25][c:26]([NH2:29])[n:27][cH:28]3)[n:13][c:14]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[c:15]2[n:16]1>>[CH2:1]1[CH2:2][N:3]([c:8]2[n:9]([CH2:30][CH:31]([CH3:32])[CH3:33])[c:10]3[n:11][c:12](-[c:23]4[cH:24][n:25][c:26]([NH2:29])[n:27][cH:28]4)[n:13][c:14]([N:17]4[CH2:18][CH2:19][O:20][CH2:21][CH2:22]4)[c:15]3[n:16]2)[CH2:4][CH2:5][NH:6]1

참가 물질

반응물 3

HCID 4837Piperazine

HCID 13387N-methyl-2-pyrrolidone

HCID 593335495-(8-Chloro-9-isobutyl-6-morpholino-9H-purin-2-yl)pyrimidin-2-amine

생성물 1

HCID 593335015-(9-Isobutyl-6-morpholino-8-(piperazin-1-yl)-9H-purin-2-yl)pyrimidin-2-amine

출처 및 근거

ORD 기록: ord-a3f8637000e0429abf82fda8d3d296bc
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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