HRID2133854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID601670

Benzothiazole-6-carboxylic acid

C8H5NO2S

HCID16772364

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccc2ncsc2c1

HCID58388098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e282ccf170640f4a05622915a3908c6
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

[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([CH2:11][NH2:12])[cH:13][cH:14]2)[cH:15][cH:16][cH:17]1.[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:69].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][P+:39]([N:40]([CH3:41])[CH3:42])([N:43]([CH3:44])[CH3:45])[N:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1.[s:18]1[cH:19][n:20][c:21]2[c:22]1[cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]2>>[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([CH2:11][NH:12][C:27]([c:24]3[cH:23][c:22]4[s:18][cH:19][n:20][c:21]4[cH:26][cH:25]3)=[O:28])[cH:13][cH:14]2)[cH:15][cH:16][cH:17]1