HRID107206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID62324

Propanoyl chloride

C3H5ClO

HCID166653

Hydride

H-

反应SMILES：CCCCc1nn(-c2ccc(N)cc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1

HCID10394829

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCc1nn(-c2ccc(NC(=O)CC)cc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1

HCID11765541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-12e0372e2ab04249a50ba7e701828434
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:50]([CH2:51][CH3:52])(=[O:53])[Cl:54].[H-:48].[NH2:1][c:2]1[cH:3][c:4]([C:44]([F:45])([F:46])[F:47])[c:5](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:6][cH:7]1.[Na+:49].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[NH:1]([c:2]1[cH:3][c:4]([C:44]([F:45])([F:46])[F:47])[c:5](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:6][cH:7]1)[C:50]([CH2:51][CH3:52])=[O:53]