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Hydrochloric Acid → [2-Tert-butyl-4-[[3-(isoquinolin-4-ylmethoxy)phenyl]carbamoyl]phenyl] acetate

HRID 153941
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HRID 153941 반응식
[C:41]([CH3:42])(=[O:43])[O:44][c:45]1[c:46]([C:54]([CH3:55])([CH3:56])[CH3:57])[cH:47][c:48]([C:49](=[O:50])[OH:51])[cH:52][cH:53]1.[CH3:62][OH:63].[Cl:21][CH2:22][c:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[cH:30][n:31][cH:32]1.[Cl:59][CH2:60][Cl:61].[ClH:20].[OH2:58].[OH:33][c:34]1[cH:35][c:36]([NH2:40])[cH:37][cH:38][cH:39]1.[cH:1]1[n:2][cH:3][c:4]([CH2:11][O:12][c:13]2[cH:14][c:15]([NH2:16])[cH:17][cH:18][cH:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][c:4]([CH2:11][O:12][c:13]2[cH:14][c:15]([NH:16][C:49]([c:48]3[cH:47][c:46]([C:54]([CH3:55])([CH3:56])[CH3:57])[c:45]([O:44][C:41]([CH3:42])=[O:43])[cH:53][cH:52]3)=[O:50])[cH:17][cH:18][cH:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 115683-AminophenolHCID 127463784-(Chloromethyl)isoquinolineHCID 180077213-(Isoquinolin-4-ylmethoxy)aniline
HCID 18007736
4-(Acetyloxy)-3-tert-butylbenzoic acid

생성물 1

HCID 18007729[2-Tert-butyl-4-[[3-(isoquinolin-4-ylmethoxy)phenyl]carbamoyl]phenyl] acetate

출처 및 근거

ORD 기록
ord-fb28d3d2ee684673bc5e35296ad4fce0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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