HRID1142395

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)C(C)(C)Oc1ccc(OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)cc1CC1CCCCC1

HCID12966839

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)c(CC2CCCCC2)c1

HCID12966840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9640440908424e74badd67f64bd06fec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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