HRID1539479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1068

Dimethyl sulfide

C2H6S

HCID6344

Dichloromethane

CH2Cl2

HCID6356

Boron trifluoride

BF3

结构：C=CCOCC1(c2cccc(C#N)c2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1C

HCID67130990

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(CO)c1cccc(C#N)c1

HCID59317171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db3ff862a42d4124b9c7987c2e24def3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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