HRID2143007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

结构：CC(C)c1ccc(OC2CCC3(CC2)NC(C(=O)O)CS3)cc1

HCID9927713

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(OC2CCC3(CC2)SCC(C(=O)O)N3C(=O)c2ccccc2)cc1

HCID9889406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e2d1178a7c340119e8664010abbf647
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

[C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)(=[O:38])[Cl:39].[CH2:41]([Cl:42])[Cl:43].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][C:12]3([NH:13][CH:14]([C:17](=[O:18])[OH:19])[CH2:15][S:16]3)[CH2:20][CH2:21]2)[cH:22][cH:23]1.[ClH:40].[OH2:44]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][C:12]3([N:13]([C:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)=[O:38])[CH:14]([C:17](=[O:18])[OH:19])[CH2:15][S:16]3)[CH2:20][CH2:21]2)[cH:22][cH:23]1