HRID682274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

结构：CS(=O)(=O)c1ccc(N2CCc3c(OC4CCNCC4)cccc32)cc1

HCID69066654

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(N2CCc3c(OC4CCN(c5ncc(Br)cn5)CC4)cccc32)cc1

HCID58017048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3144f468380c4a85b7d43af963f389e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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