HRID174026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

HCID5062348

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)C(Cl)Cl

HCID9862412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97f069844c6c4f89bf0d983dabc1f8ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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