HRID137290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

HCID91551

3-Anilinopropane-1,2-diol

C9H13NO2

结构：CC(=C(F)CO)c1cc2c(c(Br)c1OC(C)C)C(C)(C)CC=C2C(C)C

HCID69731093

未命名化合物

PRODUCTS

生成物

HCID73989369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f51bd1bbaaa4f08b10b3440339834b4
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

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