HRID184540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2735784

2-Chloro-5-propylpyrimidine

C7H9ClN2

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

HCID69066654

未命名化合物

PRODUCTS

生成物

结构：CCCc1cnc(N2CCC(Oc3cccc4c3CCN4c3ccc(S(C)(=O)=O)cc3)CC2)nc1

HCID58016994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b290afa590b4f0caa4d7915fd6358eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:47]([Cl:48])[Cl:49].[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.[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:37][c:38]1[n:39][cH:40][c:41]([CH2:44][CH2:45][CH3:46])[cH:42][n:43]1.[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:38]5[n:39][cH:40][c:41]([CH2:44][CH2:45][CH3:46])[cH:42][n:43]5)[CH2:26][CH2:27]4)[cH:17][cH:18][cH:19][c:20]32)[cH:10][cH:11]1