HRID93769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID6328

Methyl iodide

CH3I

HCID31275

1,4-Dioxane

C4H8O2

结构：Oc1csc(-c2c(-c3c(F)cccc3Cl)noc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)n1

HCID86668518

未命名化合物

PRODUCTS

生成物

结构：COc1csc(-c2c(-c3c(F)cccc3Cl)noc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)n1

HCID60148751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d79ff4866d402bad48c5d88299944b
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

[CH3:36][I:37].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:20]3[cH:21][n:22][n:23](-[c:29]4[cH:30][c:31]([F:35])[cH:32][cH:33][cH:34]4)[c:24]3[C:25]([F:26])([F:27])[F:28])[c:13]2-[c:14]2[s:15][cH:16][c:17]([OH:19])[n:18]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Cl:48][C:49]([Cl:50])([Cl:51])[Cl:52].[ClH:40].[Na+:39].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH-:38].[OH2:47]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:20]3[cH:21][n:22][n:23](-[c:29]4[cH:30][c:31]([F:35])[cH:32][cH:33][cH:34]4)[c:24]3[C:25]([F:26])([F:27])[F:28])[c:13]2-[c:14]2[s:15][cH:16][c:17]([O:19][CH3:36])[n:18]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1