HRID1201832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID901375

4-bromothiophene-3-carbonitrile

C5H2BrNS

HCID2734624

4-Hydroxyphenylboronic acid pinacol ester

C12H17BO3

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1-c1ccc(CO)cc1

HCID59447480

未命名化合物

PRODUCTS

生成物

HCID59447572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ed7b2b8aa9041ce87d9335b4867a8aa
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

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