HRID807537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID254249

2-Chloro-5-(methoxycarbonyl)pyridine

C7H6ClNO2

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66696986

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)nc1

HCID66697048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb573d947cec43eba2b7b5b6316906d4
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

[CH3:28][O:29][C:30]([c:31]1[cH:32][n:33][c:34]([Cl:37])[cH:35][cH:36]1)=[O:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([n:21]([CH3:25])[c:22](=[O:24])[o:23]3)[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[N:46]12[CH2:47][CH2:48][N:49]([CH2:50][CH2:51]1)[CH2:52][CH2:53]2.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([n:21]([CH3:25])[c:22](=[O:24])[o:23]3)[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([O:8][c:34]2[n:33][cH:32][c:31]([C:30]([O:29][CH3:28])=[O:38])[cH:36][cH:35]2)[cH:7]1