HRID1219304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID1514290

Azetidin-3-ol

C3H7NO

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2

HCID25265769

未命名化合物

PRODUCTS

生成物

结构：O=C(c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2)N1CC(O)C1

HCID42606206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d16350092264be0866a356813836ec0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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