HRID87165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8071

未命名化合物

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CCC1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1

HCID67261755

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(S(C)(=O)=O)cc3)nc2N1C1CCCC1

HCID67371019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de9c3a82b7654bad87ebc35247d4d1b0
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[n:3](-[c:7]2[n:8][c:9]3[c:14]([cH:15][n:16]2)[N:13]([CH3:17])[C:12](=[O:18])[CH:11]([CH2:19][CH3:20])[N:10]3[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:4][cH:5][n:6]1.[CH3:26][S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[Na+:40].[OH-:39].[OH2:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([S:27]([CH3:26])(=[O:28])=[O:29])[cH:35][cH:34]2)[n:3](-[c:7]2[n:8][c:9]3[c:14]([cH:15][n:16]2)[N:13]([CH3:17])[C:12](=[O:18])[CH:11]([CH2:19][CH3:20])[N:10]3[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:4][cH:5][n:6]1