HRID101897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3ccccc3)CC2)C1

HCID46927116

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(F)(c3ccccc3)CC2)C1

HCID49763574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-867e4a436ac14373bd4e94fb304af95a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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