HRID303774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

结构：CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C

HCID11676975

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(O)ccc23)C1(C)C

HCID11696383

[6-Hydroxy-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone

C22H30N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81e7f1e8315246fea4e8c3eac3b0bfc5
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

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