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Acetate → 6-benzyloxy-4-formyl-7-methoxy-1-(3-methoxy-benzyl)-1H-isoquinoline-2-carboxylic acid ethyl ester

HRID 1130564
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HRID 1130564 반응식
[C:60]([O:61][CH2:62][CH3:63])(=[O:64])[CH3:65].[CH2:11]([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([CH2:36][c:37]2[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]2)[c:18]2[cH:19][c:20]([O:34][CH3:35])[c:21]([O:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:22][c:23]2[CH:24]=[CH:25]1.[CH3:1][N:2]([CH:3]=[O:4])[CH3:5].[CH3:46][C:47](=[O:48])[O-:49].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[Cl:50][CH2:51][Cl:52].[K+:45].[OH2:53].[P:6]([Cl:7])([Cl:8])([Cl:9])=[O:10]>>[CH:3](=[O:4])[C:24]1=[CH:25][N:16]([C:14]([O:13][CH2:11][CH3:12])=[O:15])[CH:17]([CH2:36][c:37]2[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]2)[c:18]2[cH:19][c:20]([O:34][CH3:35])[c:21]([O:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:22][c:23]21
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychloride
HCID 21034938
6-benzyloxy-7-methoxy-1-(3-methoxy-benzyl)-1H-isoquinoline-2-carboxylic acid ethyl ester

생성물 1

HCID 210349396-benzyloxy-4-formyl-7-methoxy-1-(3-methoxy-benzyl)-1H-isoquinoline-2-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-6d954a72a20e44f997b846933c202c65
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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