HRID94072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID524508

6-Hydroxyindole

C8H7NO

结构：CC(C)(C)OC(=O)COc1ccc2c(C(=O)Nc3nccs3)cn(CC3CC3)c2c1

HCID87265670

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COc1ccc2c(C(=O)Nc3nccs3)cn(CC3CC3)c2c1

HCID59513955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b5b2c07a65849878cddfd7f806c06be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:17][CH2:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25].[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([CH2:32][O:33][c:34]1[cH:35][cH:36][c:37]2[c:38]([C:47]([NH:48][c:49]3[s:50][cH:51][cH:52][n:53]3)=[O:54])[cH:39][n:40]([CH2:43][CH:44]3[CH2:45][CH2:46]3)[c:41]2[cH:42]1)=[O:55].[CH3:56][C:57]#[N:58].[K+:11].[K+:12].[O-:13][C:14]([O-:15])=[O:16].[OH:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7][nH:8]2)[cH:9][cH:10]1>>[O:30]=[C:31]([CH2:32][O:33][c:34]1[cH:35][cH:36][c:37]2[c:38]([C:47]([NH:48][c:49]3[s:50][cH:51][cH:52][n:53]3)=[O:54])[cH:39][n:40]([CH2:43][CH:44]3[CH2:45][CH2:46]3)[c:41]2[cH:42]1)[OH:55]