HRID686842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID522846

2-Chloro-4-fluorobenzenesulfonyl chloride

C6H3Cl2FO2S

结构：CC(=O)N1CCC(C(=O)N(CCCN2CC3CNCC3C2)c2ccc(C)c(Cl)c2)CC1

HCID58782555

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(C(=O)N(CCCN2CC3CN(S(=O)(=O)c4ccc(F)cc4Cl)CC3C2)c2ccc(C)c(Cl)c2)CC1

HCID58782529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67170842cfbd494eb6bda5d1dfe57e7e
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

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