HRID108000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)CC1(c2ccc(NC(=O)Cc3ccc(NC(=O)Nc4ccccc4C)c(OC)c3)cc2)Cc2ccccc2C1

HCID69419383

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(=O)Nc2ccc(C3(CC(=O)O)Cc4ccccc4C3)cc2)ccc1NC(=O)Nc1ccccc1C

HCID10231423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0e2d3a68b3642bd98550358ac864a32
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

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