HRID799089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(C)(C)OC(=O)CN=CCC(C)(C)C(=O)OCc1ccccc1

HCID59249572

未命名化合物

HCID66665986

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1NC(CC(C)(C)C(=O)OCc2ccccc2)C(C#N)(c2ccc(Cl)cc2F)C1c1cccc(Cl)c1F

HCID67297241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39209309ac394646a3a03144f0660f9a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([CH2:11][CH:12]=[N:13][CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23])=[O:24].[CH2:52]1[CH2:53][CH2:54][C:55]2=[N:60][CH2:59][CH2:58][CH2:57][N:56]2[CH2:61][CH2:62]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:66][C:67]([OH:68])([CH3:69])[CH3:70].[Cl:25][c:26]1[c:27]([F:44])[c:28]([CH:32]=[C:33]([C:34]#[N:35])[c:36]2[c:37]([F:43])[cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[cH:29][cH:30][cH:31]1.[Cl:63][CH2:64][Cl:65]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([CH2:11][CH:12]1[NH:13][CH:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH:32]([c:28]2[c:27]([F:44])[c:26]([Cl:25])[cH:31][cH:30][cH:29]2)[C:33]1([C:34]#[N:35])[c:36]1[c:37]([F:43])[cH:38][c:39]([Cl:42])[cH:40][cH:41]1)([CH3:22])[CH3:23])=[O:24]