HRID1122147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(-n2nc(C(C)(CF)CF)cc2NC(=O)Nc2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)cc1

HCID69059393

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(-n2nc(C(C)(CF)CF)cc2NC(=O)Nc2cnc(OC3CCNCC3)c3ccccc23)cc1

HCID69053754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8cbe438d2e640bb93572a589540e8d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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