HRID99748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID16227966

1-(4-Bromophenyl)cyclopropane-1-carboxylic acid

C10H9BrO2

HCID21506814

3H-Spiro[2-benzofuran-1,3'-pyrrolidin]-3-one

C11H11NO2

PRODUCTS

生成物

结构：O=C1OC2(CCN(C(=O)C3(c4ccc(Br)cc4)CC3)C2)c2ccccc21

HCID66661610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d979b7d96f7843d89849e496e68317e8
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

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