HRID303920

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：Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2733180

未命名化合物

反应SMILES：Cc1sc(C(=O)O)cc1-c1c(C(C)C)cnn1C

HCID57826842

未命名化合物

反应SMILES：NC(Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=O

HCID178510762

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1c(C(C)C)cnn1C

HCID76576418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0d5e694af6c0451e8b4d31c969e2afd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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