HRID108562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1820

5-Fluoroindole-2-carboxylic acid

C9H6FNO2

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CN)s1

HCID12434343

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNC(=O)c2cc3cc(F)ccc3[nH]2)s1

HCID22439198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d5cba43c684489da8bc3d249d89f1ff
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

[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:94][N:95]([CH3:96])[CH:97]=[O:98].[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[OH:13])[nH:7][c:8]2[cH:9][cH:10]1.[NH2:36][CH2:37][c:38]1[n:39][n:40][c:41]([CH3:59])[n:42]1-[c:43]1[s:44][c:45]([CH2:57][CH3:58])[cH:46][c:47]1[C:48]([c:49]1[c:50]([Cl:55])[cH:51][cH:52][cH:53][cH:54]1)=[O:56].[OH:14][S:15]([c:16]1[cH:17][cH:18][c:19]([CH3:20])[cH:21][cH:22]1)(=[O:23])=[O:24].[OH:25][S:26]([c:27]1[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]1)(=[O:34])=[O:35].[P-:67]([F:68])([F:69])([F:70])([F:71])([F:72])[F:73].[n:74]1([O:75][P+:76]([N:77]([CH3:78])[CH3:79])([N:80]([CH3:81])[CH3:82])[N:83]([CH3:84])[CH3:85])[c:86]2[cH:87][cH:88][cH:89][cH:90][c:91]2[n:92][n:93]1>>[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:13])[NH:36][CH2:37][c:38]3[n:39][n:40][c:41]([CH3:59])[n:42]3-[c:43]3[s:44][c:45]([CH2:57][CH3:58])[cH:46][c:47]3[C:48]([c:49]3[c:50]([Cl:55])[cH:51][cH:52][cH:53][cH:54]3)=[O:56])[nH:7][c:8]2[cH:9][cH:10]1