HRID662749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

反应SMILES：CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)O

HCID67438198

5-[(tert-Butoxycarbonyl)amino]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

C15H14F2N2O4S

反应SMILES：Cn1ncc(N)c1N1CCC(F)C(NC(=O)C(F)(F)F)CC1

HCID86680076

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2NC(=O)OC(C)(C)C)c1N1CCC(F)C(NC(=O)C(F)(F)F)CC1

HCID86680075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-833b4a746f1644cebc91fe4925d0a4c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:22](=[O:23])[OH:24])[n:11][c:12](-[c:14]2[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]2[F:20])[s:13]1.[CH:80]([N:81]([CH2:82][CH3:83])[CH:84]([CH3:85])[CH3:86])([CH3:87])[CH3:88].[Cl:89][CH2:90][Cl:91].[NH2:58][c:59]1[cH:60][n:61][n:62]([CH3:79])[c:63]1[N:64]1[CH2:65][CH2:66][CH:67]([NH:72][C:73]([C:74]([F:75])([F:76])[F:77])=[O:78])[CH:68]([F:71])[CH2:69][CH2:70]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][P+:34]([N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)([N:40]2[CH2:41][CH2:42][CH2:43][CH2:44]2)[N:45]2[CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:22](=[O:23])[NH:58][c:59]2[cH:60][n:61][n:62]([CH3:79])[c:63]2[N:64]2[CH2:65][CH2:66][CH:67]([NH:72][C:73]([C:74]([F:75])([F:76])[F:77])=[O:78])[CH:68]([F:71])[CH2:69][CH2:70]2)[n:11][c:12](-[c:14]2[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]2[F:20])[s:13]1