HRID93112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24648

Sulfuryl chloride

Cl2O2S

HCID166653

Hydride

H-

HCID2777188

3-(Trifluoromethoxy)anisole

C8H7F3O2

结构：COc1ccccc1C1(N2CC(O)CC2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21

HCID178489338

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CC(O)CC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC(F)(F)F)c1

HCID178492842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6e1e59c6e884279864ea1435a8f3a43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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