HRID1150658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2736136

5-(Methanesulfonyl)-2,3-dihydro-1H-indole

C9H11NO2S

结构：CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ncn2)CC1

HCID22309472

tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

C14H21ClN4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1

HCID58074125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66faf27e74764f4c9c0a043beeda9c30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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