HRID2313626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(NC1(C(=O)NC2CCN(c3ccc(F)cc3C(F)(F)F)CC2O)CCCCC1)c1cc2ccccc2o1

HCID69311664

未命名化合物

PRODUCTS

生成物

HCID10053149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfbf41bb6f724af0af86d9bd3d40bafa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][S:48](=[O:49])[CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[o:1]1[c:2]([C:10](=[O:11])[NH:12][C:13]2([C:19](=[O:20])[NH:21][CH:22]3[CH:23]([OH:39])[CH2:24][N:25]([c:28]4[c:29]([C:35]([F:36])([F:37])[F:38])[cH:30][c:31]([F:34])[cH:32][cH:33]4)[CH2:26][CH2:27]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2]([C:10](=[O:11])[NH:12][C:13]2([C:19](=[O:20])[NH:21][CH:22]3[C:23](=[O:39])[CH2:24][N:25]([c:28]4[c:29]([C:35]([F:36])([F:37])[F:38])[cH:30][c:31]([F:34])[cH:32][cH:33]4)[CH2:26][CH2:27]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2