HRID134577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11745

Ethyl 2-bromoisobutyrate

C6H11BrO2

HCID81531

Diisopropylethylamine

C8H19N

HCID178527930

未命名化合物

PRODUCTS

生成物

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

HCID57811357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c24363b37bcf4a26b8d6552ec98da7d4
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

[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][CH2:26][CH3:27])([CH3:28])[CH3:29].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[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][CH2:26][CH3:27])([CH3:28])[CH3:29])[n:5][n:6]1