HRID2130241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7134

Benzeneacetic acid, 2-methoxy-

C9H10O3

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID67714288

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CC(=O)N1CC2C(=O)CCC(O)(c3ccccc3OC)C2C1

HCID67714177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f89d8d496ee48c6b5ebb427016ffd23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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