HRID810350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID3157460

未命名化合物

2 次

HCID10850590

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(OCc3ccccc3)CC1)O2

HCID22111069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da3604f6874a45e58075e366c7106146
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

[Br:32][CH2:33][C:34]1([CH3:47])[O:35][c:36]2[c:37]([c:39]([CH3:46])[c:40]([NH2:45])[c:41]([CH3:44])[c:42]2[CH3:43])[CH2:38]1.[CH2:18]([O:19][CH:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH:10]1[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:1].[Na+:17].[Na+:65].[O-:61][C:62]([OH:63])=[O:64].[OH-:16]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:33][C:34]2([CH3:47])[O:35][c:36]3[c:37]([c:39]([CH3:46])[c:40]([NH2:45])[c:41]([CH3:44])[c:42]3[CH3:43])[CH2:38]2)[CH2:14][CH2:15]1