HRID284949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6346

Methylene iodide

CH2I2

HCID6422

未命名化合物

HCID8058

n-Hexane

C6H14

HCID178418750

未命名化合物

结构：C=COc1cc(C(Cc2ccccc2)(NS(=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID178466225

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)S(=O)NC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(F)c(OC2CC2)c1

HCID178455569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1f3004c4fe04b36819a1892645485f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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