HRID123172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6387

tert-Butyl mercaptan

C4H10S

HCID104727

Aluminum Cation

Al+3

结构：CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OC)ccc2n1Cc1ccc(Cl)cc1

HCID19935666

Ethyl 3-{3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-methoxy-1H-indol-2-yl}-2,2-dimethylpropanoate

C27H34ClNO3S

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

HCID19935664

Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate

C26H32ClNO3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b928575ec0bb423d81cd3197d0bdd3fa
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

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