HRID2124930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

结构：Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)c(F)c2)ccn1

HCID23152971

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)c(F)c2)ccn1

HCID23153204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-392c7f20cbd347dca23a3f37e65869e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][C:38]([Cl:39])=[O:40].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([CH2:10][C:11](=[O:12])[NH:13][c:14]2[c:15]([F:28])[cH:16][c:17]([O:20][c:21]3[cH:22][c:23]([NH2:27])[n:24][cH:25][cH:26]3)[cH:18][cH:19]2)=[O:29])[cH:6][cH:7]1.[Na+:42].[OH-:41]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([CH2:10][C:11](=[O:12])[NH:13][c:14]2[c:15]([F:28])[cH:16][c:17]([O:20][c:21]3[cH:22][c:23]([NH:27][C:38]([CH3:37])=[O:40])[n:24][cH:25][cH:26]3)[cH:18][cH:19]2)=[O:29])[cH:6][cH:7]1