HRID662866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID23393

2-(Chloromethyl)pyridine

C6H6ClN

结构：COCC(=O)N(C)C(C)COc1cccc2ncnc(Nc3ccc(O)c(Cl)c3)c12

HCID178496446

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)N(C)C(C)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

HCID11455210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be23612d5a3e47fdb148e13e82dbbbbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Cl:10][c:11]1[cH:12][c:13]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][cH:25][cH:26][c:27]([O:29][CH2:30][CH:31]([CH3:32])[N:33]([C:34]([CH2:35][O:36][CH3:37])=[O:38])[CH3:39])[c:28]23)[cH:14][cH:15][c:16]1[OH:17].[ClH:1].[c:2]1([CH2:8][Cl:9])[cH:3][cH:4][cH:5][cH:6][n:7]1>>[c:2]1([CH2:8][O:17][c:16]2[c:11]([Cl:10])[cH:12][c:13]([NH:18][c:19]3[n:20][cH:21][n:22][c:23]4[cH:24][cH:25][cH:26][c:27]([O:29][CH2:30][CH:31]([CH3:32])[N:33]([C:34]([CH2:35][O:36][CH3:37])=[O:38])[CH3:39])[c:28]34)[cH:14][cH:15]2)[cH:3][cH:4][cH:5][cH:6][n:7]1