HRID1201569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID16460978

4-(Aminomethyl)-N-methylbenzene-1-sulfonamide

C8H12N2O2S

HCID58138774

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1

HCID58138789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f91e03ba4eeb4aad8a7e53b88844ba62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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