HRID195552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1Cl

HCID57505452

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1Cl)c1cccc(C(F)(F)F)c1

HCID57505451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cfe70a393374fdb9ed09dce63e1410f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[F:25][C:26]([c:27]1[cH:28][c:29]([C:30](=[O:31])[Cl:32])[cH:33][cH:34][cH:35]1)([F:36])[F:37].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[Cl:24].[Na+:38].[OH:39][C:40](=[O:41])[O-:42]>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[Cl:24])[C:30]([c:29]1[cH:28][c:27]([C:26]([F:25])([F:36])[F:37])[cH:35][cH:34][cH:33]1)=[O:31]