HRID195757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID5943

Carbon tetrachloride

CCl4

HCID8857

Ethyl acetate

C4H8O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1

HCID68433774

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID59750072

tert-Butyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

C19H24BrNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d629101c19164a8d96466dd028a9f4ff
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

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