HRID2323689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

结构：Cn1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)c4cc(OS(=O)(=O)C(F)(F)F)c5cccc(C6CC6)c5n4)CC2)O3)cn1

HCID58208674

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3cc(-c5cnn(C)c5)ccc3O4)nc3c(C4CC4)cccc23)cc1

HCID58208703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d205b0bd34c24cd6828dc853a23220d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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