HRID299925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID351770

2-Amino-5-methyl-thiazole

C4H6N2S

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

HCID59343401

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(Nc2cncc(Sc3ccc(NC(=O)C4CC4)cc3)n2)s1

HCID15950453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f6fe44aa31446cfaed87051151dabe9
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

[CH3:138][CH2:139][O:140][C:141](=[O:142])[CH3:143].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[CH:18]3[CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:7]1.[NH2:21][c:22]1[s:23][c:24]([CH3:27])[cH:25][n:26]1.[Na+:70].[Na+:71].[O-:72][C:73](=[O:74])[O-:75].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[O:76]1[CH2:77][CH2:78][O:79][CH2:80][CH2:81]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH2:144].[Pd:82].[Pd:83].[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>>[c:2]1([NH:21][c:22]2[s:23][c:24]([CH3:27])[cH:25][n:26]2)[cH:3][n:4][cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[CH:18]3[CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:7]1