HRID151415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1ccc2cc(-c3ccc(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CCC4)cc3)ccc2n1

HCID59321527

Methyl 6-[4-({[5-cyclobutyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylate

C30H23Cl2N3O4

PRODUCTS

生成物

结构：O=C(O)c1ccc2cc(-c3ccc(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CCC4)cc3)ccc2n1

HCID59321506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07a3f59ce8ca402f8577bf2e64f8b297
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

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