HRID1547594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)C(C(=O)OCc1ccccc1)C2

HCID70026863

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(cc1OC)CC(C(=O)OCc1ccccc1)NC2

HCID13044264

Benzyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

C19H21NO4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ba1ef5419c714fe7a1f840d1868d63af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[N:12]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:13][c:14]2[cH:15][c:16]([O:23][CH3:24])[c:17]([O:21][CH3:22])[cH:18][c:19]2[CH2:20]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:33]([OH:34])([CH3:35])[CH3:36].[ClH:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[NH:12][CH2:13][c:14]2[cH:15][c:16]([O:23][CH3:24])[c:17]([O:21][CH3:22])[cH:18][c:19]2[CH2:20]1