HRID2345243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID3260420

未命名化合物

结构：CC(C)OC(=O)CCCC1CCC2C(CC(OC(=O)c3ccc(-c4ccccc4)cc3)C2C=CC(O)CCc2cccnc2)OC1

HCID178459516

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)CCCC1CCC2C(CC(O)C2C=CC(O)CCc2cccnc2)OC1

HCID178459506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b700c938bf4d46b5915a14b6988c963b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:56]([O:57][CH2:58][CH3:59])(=[O:60])[CH3:61].[CH3:1][CH:2]([OH:3])[CH3:4].[CH3:51][CH:52]([CH3:53])[O-:54].[Li+:55].[OH2:62].[c:5]1(-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:45][c:46]([C:47]([O:13][CH:14]2[CH:15]([CH:33]=[CH:34][CH:35]([CH2:36][CH2:37][c:38]3[cH:39][n:40][cH:41][cH:42][cH:43]3)[OH:44])[CH:16]3[CH:17]([O:18][CH2:19][CH:20]([CH2:23][CH2:24][CH2:25][C:26]([O:27][CH:28]([CH3:29])[CH3:30])=[O:31])[CH2:21][CH2:22]3)[CH2:32]2)=[O:48])[cH:49][cH:50]1>>[OH:13][CH:14]1[CH:15]([CH:33]=[CH:34][CH:35]([CH2:36][CH2:37][c:38]2[cH:39][n:40][cH:41][cH:42][cH:43]2)[OH:44])[CH:16]2[CH:17]([O:18][CH2:19][CH:20]([CH2:23][CH2:24][CH2:25][C:26]([O:27][CH:28]([CH3:29])[CH3:30])=[O:31])[CH2:21][CH2:22]2)[CH2:32]1