HRID2157135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID947

Nitrogen

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID11776

Triphenylphosphine

C18H15P

HCID59752371

未命名化合物

HCID59752391

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2cccc(F)c2)cc1N(C(=O)C1CCC(C)CC1OC(C)=O)C(C)C

HCID59752339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a87add816074d64be45c03f3a474ddc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:14]2[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]2)[cH:8][c:9]1[NH:10][CH:11]([CH3:12])[CH3:13].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Cl:21][C:22](=[O:23])[CH:24]1[CH:25]([O:31][C:32]([CH3:33])=[O:34])[CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]1.[Cl:56][CH2:57][CH2:58][Cl:59].[N:54]#[N:55].[OH2:64].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:14]2[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]2)[cH:8][c:9]1[N:10]([CH:11]([CH3:12])[CH3:13])[C:22](=[O:23])[CH:24]1[CH:25]([O:31][C:32]([CH3:33])=[O:34])[CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]1