HRID669398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

反应SMILES：CC(=O)NC1(c2ccccc2)CCN(C2CCN(C(=O)OC(C)(C)C)C(Cc3ccccc3)C2)CC1

HCID18319927

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)NC1(c2ccccc2)CCN(C2CCNC(Cc3ccccc3)C2)CC1

HCID18319904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-56fb79fe30fb4fddb45ebf51a4880903
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:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:6][CH2:7][N:8]([CH:11]2[CH2:12][CH:13]([CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[N:14]([C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH2:15][CH2:16]2)[CH2:9][CH2:10]1.[CH3:37][OH:38].[CH3:39][CH:40]([OH:41])[CH3:42].[ClH:43]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:6][CH2:7][N:8]([CH:11]2[CH2:12][CH:13]([CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[NH:14][CH2:15][CH2:16]2)[CH2:9][CH2:10]1