HRID829763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)Cc1ccc(-c2ccc(C(CC)(CC)c3ccc(C=CC(O)(CC)CC)c(C)c3)cc2)nc1

HCID67065132

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)O)cn3)cc2)cc1C)CC

HCID67065113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e5058ed650f4111b3edc22bb5dbcd6e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:3]([CH3:4])[O:5][C:6]([CH2:7][c:8]1[cH:9][n:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH:29]=[CH:30][C:31]([CH2:32][CH3:33])([OH:34])[CH2:35][CH3:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:40].[CH3:48][OH:49].[Cl-:41].[NH4+:42].[Na+:2].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:1]>>[O:5]=[C:6]([CH2:7][c:8]1[cH:9][n:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH:29]=[CH:30][C:31]([CH2:32][CH3:33])([OH:34])[CH2:35][CH3:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[cH:12][cH:13]1)[OH:40]