HRID2136222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24682

Sulfur trioxide

O3S

结构：CC(=O)N1C(Cc2cc(F)cc(F)c2)C(C2CC(OCC(=O)C(C)(C)C)CN2C(=O)OC(C)(C)C)OC1(C)C

HCID178473757

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C(Cc2cc(F)cc(F)c2)C(C2CC(=O)CN2C(=O)OC(C)(C)C)OC1(C)C

HCID178473758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e2247f051ad4d6181c91ff8272870d5
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:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH:19]([CH:31]2[CH:32]([CH2:41][c:42]3[cH:43][c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]3)[N:33]([C:38]([CH3:39])=[O:40])[C:34]([CH3:36])([CH3:37])[O:35]2)[CH2:20][CH:21]([O:23][CH2:24][C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][S:58](=[O:59])[CH3:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[S:7](=[O:8])(=[O:9])=[O:10].[n:1]1[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH:19]([CH:31]2[CH:32]([CH2:41][c:42]3[cH:43][c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]3)[N:33]([C:38]([CH3:39])=[O:40])[C:34]([CH3:36])([CH3:37])[O:35]2)[CH2:20][C:21](=[O:23])[CH2:22]1