HRID108304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：COC(=O)C(CC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1)Cc1cc(C)c(OCc2ccccc2)c(OC)c1

HCID69064945

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc(C)c1OCc1ccccc1

HCID68673616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-649c66dff968458fa852ac494f7dd98f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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