HRID1546206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID587757

1,5-Dimethyl-1H-pyrazole-3-carboxylic acid

C6H8N2O2

结构：Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccc(Nc3cc(Cl)c(C(F)(F)F)cc3N)cc2)cc1

HCID86611501

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccc(Nc3cc(Cl)c(C(F)(F)F)cc3NC(=O)c3cc(C)n(C)n3)cc2)cc1

HCID86585629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-950d8fb99d6d4532a17db34da8484e0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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