HRID2315786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

结构：CC1(C)OB(c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)OC1(C)C

HCID57969821

未命名化合物

HCID66643481

(2-Bromo-1,3-thiazol-4-yl)acetonitrile

C5H3BrN2S

PRODUCTS

生成物

结构：N#CCc1csc(-c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID66643451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed8b984e4a4f4d069a2299db647fb814
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:1][c:2]1[s:3][cH:4][c:5]([CH2:7][C:8]#[N:9])[n:6]1.[C:47](=[O:48])([O-:49])[O-:50].[CH3:10][C:11]1([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16][B:17]([c:18]2[c:19]3[c:20]([n:21][cH:22][cH:23]2)[n:24]([C:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[n:25][cH:26]3)[O:46]1.[CH3:131][CH2:132][O:133][C:134]([CH3:135])=[O:136].[Na+:51].[Na+:52].[OH2:130].[Pd:53].[c:111]1([P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126][cH:127][cH:128][cH:129]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1(-[c:18]2[c:19]3[c:20]([n:21][cH:22][cH:23]2)[n:24]([C:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[n:25][cH:26]3)[s:3][cH:4][c:5]([CH2:7][C:8]#[N:9])[n:6]1