HRID286489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7509

Benzenemethanethiol

C7H8S

HCID23938

Palladium

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID817713

3-bromo-5-methylpyridine

C6H6BrN

PRODUCTS

生成物

HCID58349834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42246c972d724d609e22a812f206b958
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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