HRID1216809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID11995

o-Iodoaniline

C6H6IN

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID25129047

未命名化合物

PRODUCTS

生成物

结构：CC1(Cc2ccccc2)COc2cc(C(=O)Nc3ccccc3I)ccc21

HCID59443127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d62a6315e5e84e6db81de8ea5f46ea05
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

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