HRID156929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID166653

Hydride

H-

结构：O=C(OCc1ccccc1)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1

HCID10672648

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(-c2ccc3cc(C(=O)OCc4ccccc4)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

HCID19429712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcfd88c63aac411b8035b554640643ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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