HRID184425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

HCID69047406

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(=O)O)CCNCC1

HCID69048122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7601d23bd5644377828c5dce07bf6122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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