HRID2126132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID9855789

未命名化合物

HCID22672641

2-(Bromomethyl)-5-fluoro-1,3-dimethylbenzene

C9H10BrF

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

结构：Cc1cc(F)cc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12

HCID11484582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34f9f3bb48c045f38e5c3a6480a6b8c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:48]([Cl:49])[Cl:50].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:21][c:22]1[c:23]([CH2:24][Br:25])[c:26]([CH3:31])[cH:27][c:28]([F:30])[cH:29]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[I-:42].[K+:41].[NH2:6][c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2.[OH2:51]>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[NH:6]([c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2)[CH2:24][c:23]1[c:22]([CH3:21])[cH:29][c:28]([F:30])[cH:27][c:26]1[CH3:31]