HRID187706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID72879

Methanesulfonamide

CH5NO2S

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1

HCID16678941

Lumacaftor

C24H18F2N2O5

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)NS(C)(=O)=O)c1

HCID59166077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3651917cf024a3fad2183fd39f43758
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:34][S:35](=[O:36])(=[O:37])[NH2:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:46][CH2:47][Cl:48].[F:1][C:2]1([F:33])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][cH:19][c:20]([CH3:32])[c:21](-[c:23]5[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31]5)[n:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1>>[F:1][C:2]1([F:33])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][cH:19][c:20]([CH3:32])[c:21](-[c:23]5[cH:24][c:25]([C:26](=[O:27])[NH:38][S:35]([CH3:34])(=[O:36])=[O:37])[cH:29][cH:30][cH:31]5)[n:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1