HRID2342477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID2736399

1-Bromo-2,3,5-trifluorobenzene

C6H2BrF3

结构：C#CCN1CCC(CCC(=O)c2ccnc3ccc(OC)cc23)C(C(=O)OC)C1

HCID78153654

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(CC#Cc2cc(F)cc(F)c2F)CCC1CCC(=O)c1ccnc2ccc(OC)cc12

HCID145706083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-305b8fb538724bae9f99eeafb979afe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:31][c:32]1[c:33]([F:40])[c:34]([F:39])[cH:35][c:36]([F:38])[cH:37]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[I-:30].[O:1]=[C:2]([CH2:3][CH2:4][CH:5]1[CH:6]([C:14](=[O:15])[O:16][CH3:17])[CH2:7][N:8]([CH2:11][C:12]#[CH:13])[CH2:9][CH2:10]1)[c:18]1[cH:19][cH:20][n:21][c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][c:27]12.[OH2:131].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[O:1]=[C:2]([CH2:3][CH2:4][CH:5]1[CH:6]([C:14](=[O:15])[O:16][CH3:17])[CH2:7][N:8]([CH2:11][C:12]#[C:13][c:32]2[c:33]([F:40])[c:34]([F:39])[cH:35][c:36]([F:38])[cH:37]2)[CH2:9][CH2:10]1)[c:18]1[cH:19][cH:20][n:21][c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][c:27]12