HRID1218433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID21935672

未命名化合物

HCID69283069

tert-Butyl (6-hydroxy-1H-indol-1-yl)acetate

C14H17NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Cn1ccc2ccc(OCc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)cc21

HCID69641953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8a5a6d1d62d4c10b2befe5b8524d306
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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