HRID1228653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID702

Ethanol

C2H6O

结构：Cc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1

HCID5512

未命名化合物

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O

HCID5538

未命名化合物

PRODUCTS

生成物

HCID5512

未命名化合物

HCID24771817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff971e77ae7b43b59073f8d5a2bd4fc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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