HRID290648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID313

Hydrochloric Acid

ClH

HCID6343

Ethanethiol

C2H6S

HCID6344

Dichloromethane

CH2Cl2

结构：CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

HCID60923

Quiflapon

C34H35ClN2O3S

HCID104727

Aluminum Cation

Al+3

PRODUCTS

生成物

结构：CC(C)(Cc1cc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1)C(=O)O

HCID18947621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c226bf9590c412d8f5ab7729bac7c01
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

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