HRID104145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID22347332

未命名化合物

HCID71209051

未命名化合物

PRODUCTS

生成物

结构：CN(CC=CC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)C1)C1CCC1

HCID71256084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9be187aee3c14ed2892c8bd481b3a90e
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

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