HRID938592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID66221

Ethane, 1,1,1-triethoxy-

C8H18O3

结构：CC(C)(C)C1CCC(Oc2ccc3cc(C(N)(CO)CO)ccc3c2C(F)(F)F)CC1

HCID67425053

未命名化合物

PRODUCTS

生成物

结构：CC1=NC(CO)(c2ccc3c(C(F)(F)F)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)CO1

HCID67530443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c85be1140b047c0be96b36b85fc1c5f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:33]([CH3:34])([O:35][CH2:36][CH3:37])([O:38][CH2:39][CH3:40])[O:41][CH2:42][CH3:43].[CH3:44][C:45](=[O:46])[OH:47].[Cl:48][CH2:49][CH2:50][Cl:51].[ClH:32].[NH2:1][C:2]([CH2:3][OH:4])([CH2:5][OH:6])[c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12]([O:21][CH:22]3[CH2:23][CH2:24][CH:25]([C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:26][CH2:27]3)[c:13]([C:17]([F:18])([F:19])[F:20])[c:14]2[cH:15][cH:16]1>>[N:1]1=[C:33]([CH3:34])[O:4][CH2:3][C:2]1([CH2:5][OH:6])[c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12]([O:21][CH:22]3[CH2:23][CH2:24][CH:25]([C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:26][CH2:27]3)[c:13]([C:17]([F:18])([F:19])[F:20])[c:14]2[cH:15][cH:16]1