HRID676103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

HCID652898

Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

C12H15NO2

PRODUCTS

生成物

结构：CCOC(=O)C1Cc2ccccc2C(C(=O)C(NC(=O)OCc2ccccc2)C(C)C)N1

HCID178468492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18c3b8f9d5fc4442a1c858e418d8961c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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