HRID105414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6367

Acetyl chloride

C2H3ClO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cn1

HCID66863369

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cn1

HCID66863527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46f15fc4977f43d28a1835ccb8d07df0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](=[O:2])([CH3:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[n:15]([CH2:24][c:25]3[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]3)[c:16]3[cH:17][cH:18][c:19]([F:23])[cH:20][c:21]3[cH:22]2)[cH:9][n:10]1.[CH3:32][C:33](=[O:34])[Cl:35].[CH3:36][OH:37].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[NH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[n:15]([CH2:24][c:25]3[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]3)[c:16]3[cH:17][cH:18][c:19]([F:23])[cH:20][c:21]3[cH:22]2)[cH:9][n:10]1