HRID97403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID2155

2-Aminothiazole

C3H4N2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CSc1ccc(C(CC2CCCC2)C(=O)O)cc1C(F)(F)F

HCID22315153

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1C(F)(F)F

HCID22315205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d46a01974fe54d7e8cf23c7f7b1c5887
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

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