Hydrochloric Acid → 5-(2-Ethyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline

반응식

[Cl:2][CH2:3][c:4]1[n:5]([CH2:9][CH3:10])[n:6][cH:7][n:8]1.[ClH:1].[c:11]1(-[n:17]2[n:18][cH:19][c:20]3[c:21]2[nH:22][c:23](=[O:30])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]32)[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[CH2:3]([c:4]1[n:5]([CH2:9][CH3:10])[n:6][cH:7][n:8]1)[O:30][c:23]1[n:22][c:21]2[n:17](-[c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:18][cH:19][c:20]2[c:29]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 184040065-(chloromethyl)-1-ethyl-1H-1,2,4-triazole

HCID 1354097283,4-dihydro-3-phenyl-5H-pyrazolo[3,4-c]isoquinolin-5-one

생성물 1

HCID 101771765-(2-Ethyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline

출처 및 근거

ORD 기록: ord-f59f4046455340958ede41d4552b643c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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