HRID2158498

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

HCID3694463

未命名化合物

HCID4574913

未命名化合物

结构：Cn1c(C(C)(C)C)cc(=NC(=O)c2cc(C(F)(F)F)ccc2F)n1CC1CCCO1

HCID178480271

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(C)(C)C)cc(=NC(=O)c2cc(C(F)(F)F)ccc2OCC2CCS(=O)(=O)C2)n1CC1CCCO1

HCID178480281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8ee73adc55b4f09b0396c09efe7fa3b
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:16]([CH3:17])([CH3:18])([CH3:19])[c:20]1[cH:21][c:22](=[N:32][C:33]([c:34]2[c:35]([F:44])[cH:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]2)=[O:45])[n:23]([CH2:26][CH:27]2[O:28][CH2:29][CH2:30][CH2:31]2)[n:24]1[CH3:25].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:10][C:11]([CH3:12])([O-:13])[CH3:14].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][OH:65].[K+:15].[S:1]1(=[O:8])(=[O:9])[CH2:2][CH:3]([CH2:6][OH:7])[CH2:4][CH2:5]1>>[S:1]1(=[O:8])(=[O:9])[CH2:2][CH:3]([CH2:6][O:7][c:35]2[c:34]([C:33]([N:32]=[c:22]3[cH:21][c:20]([C:16]([CH3:17])([CH3:18])[CH3:19])[n:24]([CH3:25])[n:23]3[CH2:26][CH:27]3[O:28][CH2:29][CH2:30][CH2:31]3)=[O:45])[cH:39][c:38]([C:40]([F:41])([F:42])[F:43])[cH:37][cH:36]2)[CH2:4][CH2:5]1