HRID87785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID11229529

1-Chloroethyl Cyclohexyl Carbonate

C9H15ClO3

结构：CN(C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)c1ccccc1OCCC(=O)O

HCID25158741

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)CCOc1ccccc1N(C)C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)OC(=O)OC1CCCCC1

HCID59370331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53ac8af90dfe424b9b7d724f2544c5bc
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

[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:36]1([O:42][C:43]([O:44][CH:45]([CH3:46])[Cl:47])=[O:48])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Cl:1][c:2]1[c:3](-[c:24]2[cH:25][n:26][c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][c:29]2[C:30]#[N:31])[cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[c:10]([O:11][CH2:12][CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19][cH:20]2)[CH3:21])[cH:22][cH:23]1.[I-:56].[Na+:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[Cl:1][c:2]1[c:3](-[c:24]2[cH:25][n:26][c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][c:29]2[C:30]#[N:31])[cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[c:10]([O:11][CH2:12][CH2:13][C:14]([O:15][CH:45]([O:44][C:43]([O:42][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)=[O:48])[CH3:46])=[O:16])[cH:17][cH:18][cH:19][cH:20]2)[CH3:21])[cH:22][cH:23]1