HRID139195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

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-ecc7714616bd4b3cb466e13d61ab9557
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:29]([F:30])([F:31])([F:32])[F:33].[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:63]=[CH:64][N:65]([CH3:66])[CH3:67].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1.[n:51]1(-[c:56]2[cH:57][cH:58][c:59]([NH2:62])[cH:60][cH:61]2)[n:52][n:53][n:54][cH:55]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:62][c:59]3[cH:58][cH:57][c:56](-[n:51]4[n:52][n:53][n:54][cH:55]4)[cH:61][cH:60]3)[n:18]2)[CH2:12][CH2:13]1