HRID2317749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1ccc(F)c(C#N)c1

HCID59436569

1,1-Dimethylethyl N-[(3-cyano-4-fluorophenyl)sulfonyl]-N-4-thiazolylcarbamate

C15H14FN3O4S2

结构：Oc1ccc(Cl)cc1-c1ccnn1C1CN(C(c2ccccc2)c2ccccc2)C1

HCID136063630

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2C2CN(C(c3ccccc3)c3ccccc3)C2)c(C#N)c1

HCID59436484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5adecae03ea48ca8cbc1a33953edaf8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:31](#[N:32])[c:33]1[cH:34][c:35]([S:40](=[O:41])(=[O:42])[N:43]([C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[c:51]2[n:52][cH:53][s:54][cH:55]2)[cH:36][cH:37][c:38]1[F:39].[C:56](=[O:57])([O-:58])[O-:59].[CH3:64][S:65](=[O:66])[CH3:67].[Cl-:62].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][cH:11][n:12][n:13]2[CH:14]2[CH2:15][N:16]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:17]2)[c:5]([OH:8])[cH:6][cH:7]1.[K+:60].[K+:61].[NH4+:63]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][cH:11][n:12][n:13]2[CH:14]2[CH2:15][N:16]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:17]2)[c:5]([O:8][c:38]2[c:33]([C:31]#[N:32])[cH:34][c:35]([S:40](=[O:41])(=[O:42])[N:43]([C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[c:51]3[n:52][cH:53][s:54][cH:55]3)[cH:36][cH:37]2)[cH:6][cH:7]1