HRID118993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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

HCID40154007

5-Iodo-2-methyl-2H-indazole

C8H7IN2

HCID178480034

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc3nnc(Sc4ccc5nn(C)cc5c4)n3n2)cn1

HCID56650915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eb7eeb8664f4dbaa7712e898ad437bb
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

[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([SH:16])[n:14][n:15]3)[cH:6]1.[CH:107](=[CH:108][C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)=[O:118])[c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[CH:125](=[CH:126][C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)=[O:136])[c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[CH:89](=[CH:90][C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)=[O:100])[c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Cl:84][CH2:85][Cl:86].[I:17][c:18]1[cH:19][c:20]2[cH:21][n:22]([CH3:27])[n:23][c:24]2[cH:25][cH:26]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[Pd:87].[Pd:88].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[c:37]3[c:61]([cH:62][cH:63][cH:64]2)[C:58]([CH3:59])([CH3:60])[c:40]2[c:39]([c:44]([P:45]([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:43][cH:42][cH:41]2)[O:38]3)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([S:16][c:18]2[cH:19][c:20]4[cH:21][n:22]([CH3:27])[n:23][c:24]4[cH:25][cH:26]2)[n:14][n:15]3)[cH:6]1