HRID281390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19916951

未命名化合物

HCID19917006

未命名化合物

HCID45489594

1-Bromo-6,6-dimethylhept-2-en-4-yne

C9H13Br

HCID53783202

1-Bromo-6-methoxy-6-methylhept-2-en-4-yne

C9H13BrO

PRODUCTS

生成物

结构：COC(C)(C)C#CC=CCNCCCCCOc1cccc(-c2ccsc2)c1

HCID53903640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93e728fb7ebf41b7a0abfcde68bcba9b
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

[CH3:19][C:20]([CH3:21])([CH3:22])[C:23]#[C:24][CH:25]=[CH:26][CH2:27][Br:28].[CH3:47][O:48][C:49]([C:50]#[C:51][CH:52]=[CH:53][CH2:54][Br:55])([CH3:56])[CH3:57].[s:1]1[cH:2][cH:3][c:4](-[c:5]2[cH:6][c:7]([O:11][CH2:12][CH2:13][O:14][CH2:15][CH2:16][NH2:17])[cH:8][cH:9][cH:10]2)[cH:18]1.[s:29]1[cH:30][c:31](-[c:34]2[cH:35][c:36]([O:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][NH2:43])[cH:44][cH:45][cH:46]2)[cH:32][cH:33]1>>[s:29]1[cH:30][c:31](-[c:34]2[cH:35][c:36]([O:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][NH:43][CH2:54][CH:53]=[CH:52][C:51]#[C:50][C:49]([O:48][CH3:47])([CH3:56])[CH3:57])[cH:44][cH:45][cH:46]2)[cH:32][cH:33]1