HRID666569

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

HCID68324

Propanedioic acid, bis(1,1-dimethylethyl) ester

C11H20O4

HCID166653

Hydride

H-

结构：COc1ccc(-c2cc(CBr)c(=O)n(CC3CC3)n2)cc1F

HCID21991710

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)n(CC3CC3)n2)cc1F

HCID21991610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9878292b864343aca3d24841a694591d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:18][CH2:19][c:20]1[c:21](=[O:39])[n:22]([CH2:35][CH:36]2[CH2:37][CH2:38]2)[n:23][c:24](-[c:26]2[cH:27][c:28]([F:34])[c:29]([O:32][CH3:33])[cH:30][cH:31]2)[cH:25]1.[C:3]([CH2:4][C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])(=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[H-:1].[Na+:2].[OH2:40]>>[C:3]([CH:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:19][c:20]1[c:21](=[O:39])[n:22]([CH2:35][CH:36]2[CH2:37][CH2:38]2)[n:23][c:24](-[c:26]2[cH:27][c:28]([F:34])[c:29]([O:32][CH3:33])[cH:30][cH:31]2)[cH:25]1)(=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17]