HRID295018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4c(OCC5CC5)ccc5c4OCO5)ncnc23)CC1

HCID66866077

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(NC1CCNCC1)c1c[nH]c2c(-c3c(OCC4CC4)ccc4c3OCO4)ncnc12

HCID66866647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3953315a7d57419480498d2a9f430b94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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