HRID190930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18359209

未命名化合物

结构：CC1(C)OB(c2ccc(OCCN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)cc2)OC1(C)C

HCID86623735

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：N#Cc1ccc(N(CCOc2ccc(-c3ncco3)cc2)CC(F)(F)F)cc1C(F)(F)F

HCID11698189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-611f3a8213cf4da6a0e2667131ca90d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][N:18]([c:19]3[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]3)[CH2:31][C:32]([F:33])([F:34])[F:35])[cH:13][cH:14]2)[O:36]1.[I:37][c:38]1[o:39][cH:40][cH:41][n:42]1.[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:9]1(-[c:38]2[o:39][cH:40][cH:41][n:42]2)[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][N:18]([c:19]2[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]2)[CH2:31][C:32]([F:33])([F:34])[F:35])[cH:13][cH:14]1