HRID1224149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID2777760

3-Phenyl-5-piperazino-1,2,4-thiadiazole

C12H14N4S

结构：CC(C)(C)OC(=O)N1CCCC(NC(=O)OCC(Cl)(Cl)Cl)C1

HCID68776240

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1

HCID86625490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7f6a79fd74a4917b62e0ec9dc2ca440
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

[CH3:50][S:51](=[O:52])[CH3:53].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][C:2]([Cl:3])([Cl:4])[CH2:21][O:22][C:5](=[O:6])[NH:7][CH:8]1[CH2:9][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12][CH2:13]1.[OH2:49].[c:23]1(-[c:29]2[n:30][s:31][c:32]([N:34]3[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]3)[n:33]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[C:5](=[O:6])([NH:7][CH:8]1[CH2:9][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12][CH2:13]1)[N:37]1[CH2:36][CH2:35][N:34]([c:32]2[s:31][n:30][c:29](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[n:33]2)[CH2:39][CH2:38]1