HRID1219715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)CCNC(=O)c1[nH]c(C)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1C

HCID57955810

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c(C(=O)NCCC(=O)O)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

HCID57955779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e883e8db439c4a46b0be51db00311170
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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