HRID697228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)CCNC(=O)c1ccc(C(CCC(C)(C)C)Oc2ccc(-c3ccc(C(C)(C)C)cc3)nc2)cc1

HCID67153562

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CCC(Oc1ccc(-c2ccc(C(C)(C)C)cc2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1

HCID59518084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-457aed2618a04893b430db2be473e6f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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