HRID1230608

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-

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4cccc(Oc5ccccc5)c4)cc3)c(Cl)cc21

HCID67080527

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCCc1cccc(Oc2ccccc2)c1)c1ccc(Oc2cc3c(cc2Cl)C(C(=O)O)CCO3)cc1

HCID44598932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9fb27b81d5f54743992aed319d839314
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

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