HRID693808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID571640

4-(1h-tetrazol-1-yl)aniline

C7H7N5

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1

HCID2795531

2-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

C14H20N2O4S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3ccc(-n4cnnn4)cc3)cs2)CC1

HCID57986930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93dc57bd78824c15a39b3a8cdd27b5cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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