HRID838441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：COC1(c2nc3c(N4CCOCC4)nc(-n4c(C(C)C)nc5ccccc54)nc3n2C)CCCN(C(=O)OC(C)(C)C)C1

HCID59605297

未命名化合物

PRODUCTS

生成物

结构：COC1(c2nc3c(N4CCOCC4)nc(-n4c(C(C)C)nc5ccccc54)nc3n2C)CCCNC1

HCID59605282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-794aa3e45d184653939a66dc48bea7f5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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