HRID2155716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CCCC(O)(CCC)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

HCID21094585

未命名化合物

结构：CCC=C(CCC)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

HCID69150611

未命名化合物

PRODUCTS

生成物

HCID21094560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e05f8d3016f43d5af672af028b64ec0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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