HRID93957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：Clc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1

HCID21992787

未命名化合物

HCID53438229

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1

HCID10268750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-806b2b8be9674991a83e5cce035989ea
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

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