HRID165910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2608606

N-(2,6-Dimethylphenyl)-1-piperazineacetamide

C14H21N3O

HCID9920872

未命名化合物

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COc2ccc3oc(-c4cccc(C(F)(F)F)c4)nc3c2)CC1

HCID10099786

未命名化合物

HCID22591629

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(OCC(O)CN3CCN(CC(=O)Nc4c(C)cccc4C)C(=O)C3)ccc2s1

HCID10299609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa22effd49b54f4ab469217fabc8d169
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH3:7])[c:8]1[NH:9][C:10](=[O:11])[CH2:12][N:13]1[CH2:14][CH2:15][N:16]([CH2:17][CH:18]([OH:19])[CH2:20][O:21][c:22]2[cH:23][cH:24][c:25]3[o:26][c:27](-[c:28]4[cH:29][cH:30][cH:31][c:32]([C:33]([F:34])([F:35])[F:36])[cH:37]4)[n:38][c:39]3[cH:40]2)[CH2:41][CH2:42]1.[CH3:43][c:44]1[s:45][c:46]2[c:47]([n:48]1)[cH:49][c:50]([O:53][CH2:54][CH:55]1[O:56][CH2:57]1)[cH:51][cH:52]2.[CH3:58][c:59]1[c:60]([NH:66][C:67]([CH2:68][N:69]2[C:70](=[O:75])[CH2:71][NH:72][CH2:73][CH2:74]2)=[O:76])[c:61]([CH3:65])[cH:62][cH:63][cH:64]1.[CH3:77][c:78]1[cH:79][cH:80][cH:81][c:82]([CH3:83])[c:84]1[NH:85][C:86](=[O:87])[CH2:88][N:89]1[CH2:90][CH2:91][NH:92][CH2:93][CH2:94]1>>[CH3:43][c:44]1[s:45][c:46]2[c:47]([n:48]1)[cH:49][c:50]([O:53][CH2:54][CH:55]([OH:56])[CH2:57][N:72]1[CH2:71][C:70](=[O:75])[N:69]([CH2:68][C:67]([NH:66][c:60]3[c:59]([CH3:58])[cH:64][cH:63][cH:62][c:61]3[CH3:65])=[O:76])[CH2:74][CH2:73]1)[cH:51][cH:52]2