HRID191179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7410

Acetophenone

C8H8O

HCID38362

Acetophenone, 4'-morpholino-

C12H15NO2

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=O)cc1

HCID22668143

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=CC(=O)c2ccc(N3CCOCC3)cc2)cc1

HCID86602775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6713f09bd4a34f7c91d5a7d81a36bec6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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