HRID286226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID90290

tert-Butyl 2-bromo-2-methylpropionate

C8H15BrO2

HCID178527930

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12

HCID46178845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a508dc84d18b440d96f63c2c8db2bfae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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