HRID126091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID72930

2-Aminonicotinic acid

C6H6N2O2

HCID10938827

未命名化合物

HCID23130383

未命名化合物

PRODUCTS

生成物

结构：Nc1ncccc1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)s1

HCID23130691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94bc359ff26e49ea823057bd6548cc69
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

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