HRID2139023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID9086

3-Aminopropanol

C3H9NO

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)c1ccc(-n2c3ccccc3c3c(-c4ccc(C#N)nc4)cccc32)cc1F

HCID58338293

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-n2c3ccccc3c3c(-c4ccc(C#N)nc4)cccc32)cc1NCCCO

HCID67308594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0dd8963ad2f465c8911b5914b306047
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:12](#[N:13])[c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][cH:23][c:24]3[n:25](-[c:33]4[cH:34][c:35]([F:46])[c:36]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:44][cH:45]4)[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[c:32]23)[cH:18][n:19]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:47][S:48](=[O:49])[CH3:50].[K+:5].[K+:6].[NH2:7][CH2:8][CH2:9][CH2:10][OH:11].[OH2:51]>>[NH:7]([CH2:8][CH2:9][CH2:10][OH:11])[c:35]1[cH:34][c:33](-[n:25]2[c:24]3[cH:23][cH:22][cH:21][c:20](-[c:17]4[cH:16][cH:15][c:14]([C:12]#[N:13])[n:19][cH:18]4)[c:32]3[c:31]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[cH:45][cH:44][c:36]1[C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43]