HRID206354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID2772144

3-(1-Piperazinyl)-1,2-benzisothiazole

C11H13N3S

HCID21100228

2-(Cyclopropylmethoxy)-5-(methylsulfonyl)benzoic acid

C12H14O5S

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CCN(c3nsc4ccccc34)CC2)c1

HCID11569037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa1133b2ef2649bea9b464f512f33566
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

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