HRID682558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)CCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1

HCID21974212

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C1CCN(CCC23CC4CC(CC(C4)C2)C3)C(=O)N1CCCc1ccncc1

HCID21974116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b429bfda600423ea6377b67ab307b67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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