HRID1232876

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：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CCCN(C(=O)OC(C)(C)C)C3)n(C)c2n1

HCID59605652

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CCCNC3)n(C)c2n1

HCID59606004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ec62caa5aca43928c0ad77bf3b47eae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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