HRID1223490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID4184869

tert-Butyl 4-[(methanesulfonyl)oxy]piperidine-1-carboxylate

C11H21NO5S

结构：Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2[nH]ncc2c1

HCID10469531

N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide

C18H17N3O

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2C2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID58656512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17ea6c6298704c1da7e3ce8022206ef8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:25][S:26]([O:27][CH:30]1[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]1)(=[O:28])=[O:29].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[cH:16][n:17][nH:18][c:19]4[cH:20][cH:21]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:22])[CH2:2][CH2:3]1.[H-:23].[NH3:43].[Na+:24].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[cH:16][n:17][n:18]([CH:30]5[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]5)[c:19]4[cH:20][cH:21]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:22])[CH2:2][CH2:3]1