HRID86594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID15623

Heliamine

C11H15NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID10570687

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CN(CCCCCCC(Sc1ccccc1)c1ccccc1)CC2

HCID10672232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1985719bccee478691edc1aaa01d2852
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[S:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:11]([cH:12][c:13]1[O:14][CH3:15])[CH2:10][NH:9][CH2:8][CH2:7]2.[CH3:46][C:47]#[N:48].[ClH:1]>>[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:11]([cH:12][c:13]1[O:14][CH3:15])[CH2:10][N:9]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[S:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH2:8][CH2:7]2