HRID702445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

结构：FC(F)(F)c1cc(CNC2CC(C3CC3)Nc3c(Br)cc(C(F)(F)F)cc32)cc(C(F)(F)F)c1

HCID22394229

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(C2CC2)Nc2c(Br)cc(C(F)(F)F)cc21

HCID22394237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0118cceb73064221aa403441d1a8cf8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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