HRID2132399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

结构：Cc1ccc(S(=O)(=O)OCC2COc3ccc4c(c3O2)CC(=O)N4)cc1

HCID15381105

未命名化合物

PRODUCTS

生成物

结构：O=C1Cc2c(ccc3c2OC(CN2CCC(C(=O)c4ccc(F)cc4)CC2)CO3)N1

HCID54370575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57570f951ce846cbb4232d43900222af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:62]([O:63][CH2:64][CH3:65])(=[O:66])[CH3:67].[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73].[CH3:74][S:75]([CH3:76])=[O:77].[CH:53]([N:54]([CH:55]([CH3:56])[CH3:57])[CH2:58][CH3:59])([CH3:60])[CH3:61].[F:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[CH:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[cH:51][cH:52]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH:12]2[CH2:13][O:14][c:15]3[c:16]([c:17]4[c:21]([cH:22][cH:23]3)[NH:20][C:19](=[O:24])[CH2:18]4)[O:25]2)(=[O:8])=[O:9])[cH:10][cH:26]1.[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[CH2:11]([CH:12]1[CH2:13][O:14][c:15]2[c:16]([c:17]3[c:21]([cH:22][cH:23]2)[NH:20][C:19](=[O:24])[CH2:18]3)[O:25]1)[N:48]1[CH2:47][CH2:46][CH:45]([C:43]([c:42]2[cH:41][cH:40][c:39]([F:38])[cH:52][cH:51]2)=[O:44])[CH2:50][CH2:49]1