HRID154851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID97836

(1-Methylpyrrolidin-2-yl)methanol

C6H13NO

HCID4574913

未命名化合物

结构：CC(C)(C)c1cn(CC2CN(S(C)(=O)=O)C2)c(=NC(=O)c2cc(C(F)(F)F)ccc2F)s1

HCID66668039

未命名化合物

PRODUCTS

生成物

结构：CN1CCCC1COc1ccc(C(F)(F)F)cc1C(=O)N=c1sc(C(C)(C)C)cn1CC1CN(S(C)(=O)=O)C1

HCID178480171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7278676383548b4b922ad06732bfa13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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