HRID2126675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID2244

Aspirin

C9H8O4

结构：COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2

HCID3152

Donepezil

C24H29NO3

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

HCID3152

Donepezil

C24H29NO3

HCID3434975

Benzoic acid, 2-(acetyloxy)-, ion(1-)

C9H7O4-

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ba0b06946384925888fe287e531f8dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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