HRID802771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccc(CN)cc1

HCID58054496

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccc(CNC(C)=O)cc1

HCID58054491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0007377d24e64e60abbb14c68338683e
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

[CH3:34][C:35]([OH:36])=[O:37].[CH3:71][C:72]#[N:73].[CH:1]([OH:2])=[O:3].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:74][CH2:75][Cl:76].[NH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][n:13]2[n:14][c:15]([NH:24][S:25](=[O:26])(=[O:27])[c:28]3[s:29][c:30]([Cl:33])[cH:31][cH:32]3)[c:16]3[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][c:21]23)[cH:10][cH:11]1.[OH2:77].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[NH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][n:13]2[n:14][c:15]([NH:24][S:25](=[O:26])(=[O:27])[c:28]3[s:29][c:30]([Cl:33])[cH:31][cH:32]3)[c:16]3[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][c:21]23)[cH:10][cH:11]1)[C:35]([CH3:34])=[O:36]