HRID189145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

HCID820206

3-bromo-5-fluoropyridine

C5H3BrFN

PRODUCTS

生成物

HCID58349830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a6232dfb09c42da93c0d70cba89de57
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

[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([F: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:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH2:75].[Pd:76].[Pd:77].[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]([F:8])[cH:7]1