HRID696312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

结构：Ic1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID618252

4-iodo-1-tritylimidazole

C22H17IN2

结构：CC1(C)OB(c2ccc3nc(C(=O)Nc4ccccc4)cn3c2)OC1(C)C

HCID44135943

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)c1cn2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2n1

HCID68781500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a26e81a979bb42ea87fc6e6e22a66d01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[I:34][c:35]1[n:36][cH:37][n:38]([C:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:39]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:136]1[CH2:137][CH2:138][O:139][CH2:140][CH2:141]1.[Pd:59].[c:117]1([P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132][cH:133][cH:134][cH:135]1.[c:1]1([NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:13]([cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][cH:17]3)[cH:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([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)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:1]1([NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:13]([cH:14][c:15](-[c:35]4[n:36][cH:37][n:38]([C:40]([c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)([c:47]5[cH:48][cH:49][cH:50][cH:51][cH:52]5)[c:53]5[cH:54][cH:55][cH:56][cH:57][cH:58]5)[cH:39]4)[cH:16][cH:17]3)[cH:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1