HRID123364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1

HCID53628801

未命名化合物

结构：CCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1C(=O)OC

HCID67071647

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1

HCID68683573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd4f79958d1d4774ba2683450e3f1e64
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

[CH3:35][O:36][C:37]([c:38]1[c:39]([O:53][CH2:54][CH3:55])[cH:40][c:41]([Cl:52])[c:42]([S:44](=[O:45])(=[O:46])[N:47]2[CH2:48][CH2:49][CH2:50][CH2:51]2)[cH:43]1)=[O:56].[CH3:57][Al:58]([CH3:59])[CH3:60].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:34])[N:9]=[C:10]([c:21]3[cH:22][cH:23][c:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][c:30]3[O:31][CH2:32][CH3:33])[NH:11][C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:34])[NH:9][C:37]([c:38]3[c:39]([O:53][CH2:54][CH3:55])[cH:40][c:41]([Cl:52])[c:42]([S:44](=[O:45])(=[O:46])[N:47]4[CH2:48][CH2:49][CH2:50][CH2:51]4)[cH:43]3)=[N:11][C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1