HRID107116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID2734381

2-Phenylvinylboronic acid

C8H9BO2

结构：CCNC(=O)c1cc(-c2cc(Br)c(OCc3ccccc3)cc2OCc2ccccc2)on1

HCID24774523

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1cc(-c2cc(C=Cc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)on1

HCID66758852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-419688117308435b83d4def740e12f4a
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

[C:45](=[O:46])([O-:47])[OH:48].[CH2:12]([CH3:13])[NH:14][C:15](=[O:16])[c:17]1[n:18][o:19][c:20](-[c:22]2[c:23]([O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:24][c:25]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:26]([Br:28])[cH:27]2)[cH:21]1.[Na+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:96].[Pd:55]([Cl:56])[Cl:57].[c:1]1([CH:7]=[CH:8][B:9]([OH:10])[OH:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[c:1]1([CH:7]=[CH:8][c:26]2[c:25]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:24][c:23]([O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:22](-[c:20]3[o:19][n:18][c:17]([C:15]([NH:14][CH2:12][CH3:13])=[O:16])[cH:21]3)[cH:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1