HRID1536832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID166653

Hydride

H-

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3nccc(O)n3)c(Cl)cc2F)c1=O

HCID178480550

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccnc(Oc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)n1

HCID18619198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-605ffdf99a0047e8836821c7f21ff3a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:32][CH2:33][C:34](=[O:35])[O:36][CH3:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:3][c:4]1[c:5]([O:6][c:7]2[n:8][cH:9][cH:10][c:11]([OH:13])[n:12]2)[cH:14][c:15](-[n:19]2[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]2=[O:25])[c:16]([F:18])[cH:17]1.[H-:1].[Na+:2].[OH2:43]>>[Cl:3][c:4]1[c:5]([O:6][c:7]2[n:8][cH:9][cH:10][c:11]([O:13][CH2:33][C:34](=[O:35])[O:36][CH3:37])[n:12]2)[cH:14][c:15](-[n:19]2[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]2=[O:25])[c:16]([F:18])[cH:17]1