HRID1216408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID66589300

未命名化合物

结构：CC1(Cn2cc([N+](=O)[O-])nc2Sc2ccccc2[N+](=O)[O-])CO1

HCID87063425

未命名化合物

PRODUCTS

生成物

结构：CC(O)(CN1CCN(C(=O)OCC=Cc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Sc1ccccc1[N+](=O)[O-]

HCID91368436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-068517933d6d49aca01b5880fa6956f3
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

[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:6][C:7]1([CH2:10][n:11]2[c:12]([S:19][c:20]3[c:21]([N+:26](=[O:27])[O-:28])[cH:22][cH:23][cH:24][cH:25]3)[n:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]2)[O:8][CH2:9]1.[N:29]1([C:35](=[O:36])[O:37][CH2:38][CH:39]=[CH:40][c:41]2[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]2)[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[OH2:51]>>[CH3:6][C:7]([OH:8])([CH2:9][N:32]1[CH2:31][CH2:30][N:29]([C:35](=[O:36])[O:37][CH2:38][CH:39]=[CH:40][c:41]2[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]2)[CH2:34][CH2:33]1)[CH2:10][n:11]1[c:12]([S:19][c:20]2[c:21]([N+:26](=[O:27])[O-:28])[cH:22][cH:23][cH:24][cH:25]2)[n:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1