HRID200385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID3776

Isopropanol

C3H8O

HCID2762716

3-PIPERIDINEETHANOL

C7H15NO

结构：FC(F)(F)c1c(-c2ccccc2)noc1-c1nc(-c2ccc(C3CO3)cc2)no1

HCID86656398

未命名化合物

PRODUCTS

生成物

结构：OCCC1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1

HCID50923704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06f98bc857fb41e2977f49ae685d7539
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

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