HRID108126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

HCID79341

Piperidin-4-ol

C5H11NO

结构：N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)c1

HCID57504036

未命名化合物

PRODUCTS

生成物

结构：N=C(c1cccc(NC(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)c1)N1CCC(O)CC1

HCID57504028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c5bbbfa2e59402b8220bc7b598566f5
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:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([NH:17][C:18](=[O:19])[NH:20][c:21]3[cH:22][c:23]([C:27]#[N:28])[cH:24][cH:25][cH:26]3)[cH:15][cH:16]2)[cH:6][cH:7]1.[CH3:43][OH:44].[ClH:36].[NH:29]1[CH2:30][CH2:31][CH:32]([OH:35])[CH2:33][CH2:34]1.[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([NH:17][C:18](=[O:19])[NH:20][c:21]3[cH:22][c:23]([C:27](=[NH:28])[N:29]4[CH2:30][CH2:31][CH:32]([OH:35])[CH2:33][CH2:34]4)[cH:24][cH:25][cH:26]3)[cH:15][cH:16]2)[cH:6][cH:7]1