HRID1224620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID22507589

Benzyl 2-methylpiperazine-1-carboxylate

C13H18N2O2

结构：COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(S(=O)(=O)Cl)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

HCID22648100

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(S(=O)(=O)N4CCN(C(=O)OCc5ccccc5)C(C)C4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

HCID22647988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1156f675a0a44236a4eac181b384b9c7
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

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