HRID1212447

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

结构：COCCc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1CCl

HCID21935749

未命名化合物

HCID68821422

(6-Hydroxy-indol-1-yl)-acetic acid ethyl ester

C12H13NO3

PRODUCTS

生成物

结构：CCOC(=O)Cn1ccc2ccc(OCc3c(C)nc(-c4ccc(C(F)(F)F)cc4)nc3CCOC)cc21

HCID69637739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-284208e2b2d542e5add84a2c199590dd
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:40](=[O:41])([O-:42])[O-:43].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][c:14]12)=[O:16].[CH3:48][C:49]#[N:50].[Cl:17][CH2:18][c:19]1[c:20]([CH2:36][CH2:37][O:38][CH3:39])[n:21][c:22](-[c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[n:23][c:24]1[CH3:25].[Cs+:44].[Cs+:45].[I-:47].[K+:46]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([O:15][CH2:18][c:19]3[c:20]([CH2:36][CH2:37][O:38][CH3:39])[n:21][c:22](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[n:23][c:24]3[CH3:25])[cH:13][c:14]12)=[O:16]