HRID206018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(C(=O)[O-])C1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4ccccc4C(F)(F)F)c3[nH]2)S1

HCID178454652

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc2cc(C3=NCC(CC(=O)O)S3)[nH]c12)S(=O)(=O)c1ccccc1C(F)(F)F

HCID59136131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a0821afa78e413080362a4050c95764
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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