HRID2140384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID22275038

4-(Methanesulfonyl)piperidine

C6H13NO2S

结构：Nc1ncc(-c2nc(N3CCOCC3)c3nc(Cl)n(CC(F)(F)F)c3n2)cn1

HCID59333534

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)C1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC(F)(F)F)CC1

HCID59333606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ac81c76a8064688807fac2dec33805f
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

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