2-(propan-2-yl)-1H-1,3-benzodiazole → 4-(8-((4-tert-butylpiperazin-1-yl)methyl)-2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine

HRID 676969

반응식

HRID 676969 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[n:13]([CH3:28])[c:14]3[n:15][c:16]([Cl:27])[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[n:20]2)[CH2:9][CH2:10]1.[CH:29]([CH3:30])([CH3:31])[c:32]1[nH:33][c:34]2[c:35]([n:36]1)[cH:37][cH:38][cH:39][cH:40]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[n:13]([CH3:28])[c:14]3[n:15][c:16](-[n:33]4[c:32]([CH:29]([CH3:30])[CH3:31])[n:36][c:35]5[c:34]4[cH:40][cH:39][cH:38][cH:37]5)[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[n:20]2)[CH2:9][CH2:10]1

참가 물질

3

반응물 2

HCID 221212-(propan-2-yl)-1H-1,3-benzodiazoleHCID 596054704-(8-((4-tert-butylpiperazin-1-yl)methyl)-2-chloro-9-methyl-9H-purin-6-yl)morpholine

생성물 1

HCID 596057314-(8-((4-tert-butylpiperazin-1-yl)methyl)-2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine

출처 및 근거

ORD 기록
ord-e6625276a88247a9b13c2025805b5838
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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