HRID1570959

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

HCID166653

Hydride

H-

结构：Cc1cn(-c2ccc(C=C(CCCCl)C(=O)NC(c3ccc(F)c(F)c3)C(C)O)cc2F)cn1

HCID178429904

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2ccc(C=C3CCCN(C(c4ccc(F)c(F)c4)C(C)O)C3=O)cc2F)cn1

HCID178429900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48353d6e34924756895513e51c9100a7
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

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