HRID1237685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID4594378

bis(cyclohexylmethyl)amine

C14H27N

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1Br

HCID11495059

未命名化合物

HCID77274669

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC1CC(CC(=O)OC(C)(C)C)OC(C)(C)O1

HCID53395082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33e3bf1590b54eb6b49d1a00e12de628
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

[Br:1][c:2]1[c:3](-[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[n:4][c:5]([N:11]([S:12](=[O:13])(=[O:14])[CH3:15])[CH3:16])[n:6][c:7]1[CH:8]([CH3:9])[CH3:10].[CH3:24][C:25]1([CH3:41])[O:26][CH:27]([CH:39]=[CH2:40])[CH2:28][CH:29]([CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[O:30]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:69][C:70](=[O:71])[OH:72].[CH:42]1([CH2:43][NH:44][CH2:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:68]>>[c:2]1([CH:40]=[CH:39][CH:27]2[O:26][C:25]([CH3:24])([CH3:41])[O:30][CH:29]([CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:28]2)[c:3](-[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[n:4][c:5]([N:11]([S:12](=[O:13])(=[O:14])[CH3:15])[CH3:16])[n:6][c:7]1[CH:8]([CH3:9])[CH3:10]