HRID198807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12708180

未命名化合物

PRODUCTS

生成物

HCID12708181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29acf4aadf6a42c9b8dfd968867832a4
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

[CH2:20]([c:21]1[cH:22][cH:23][cH:24][c:25]2[c:26]1[nH:27][c:28]1[c:36]2[CH2:35][CH2:34][O:33][C:29]1([CH3:30])[CH2:31][NH2:32])[CH3:37].[CH2:80]([C:81]1([CH2:82][NH2:83])[c:84]2[nH:85][c:86]3[c:87]([c:88]2[CH2:89][CH2:90][O:91]1)[cH:92][cH:93][cH:94][cH:95]3)[CH2:96][CH3:97].[CH3:1][C:2]1([CH2:15][NH:16][C:17](=[O:18])[CH3:19])[O:3][CH2:4][CH2:5][c:6]2[c:7]1[nH:8][c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]21.[CH3:38][O:39][c:40]1[cH:41][c:42]2[c:43]([c:44]3[c:52]([nH:53]2)[C:48]([CH3:49])([CH2:50][NH2:51])[O:47][CH2:46][CH2:45]3)[cH:54][cH:55]1.[F:98][C:99]([F:100])([F:101])[c:102]1[cH:103][cH:104][cH:105][c:106]2[c:107]1[c:108]1[c:117]([nH:118]2)[C:112]([CH:113]([NH2:114])[CH3:115])([CH3:116])[O:111][CH2:110][CH2:109]1.[c:56]1([CH2:57][O:58][c:59]2[cH:60][c:61]3[c:62]([cH:63][cH:64]2)[nH:65][c:66]2[c:74]3[CH2:73][CH2:72][O:71][C:67]2([CH3:68])[CH2:69][NH2:70])[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[CH3:1][C:2]1([CH2:15][NH2:16])[O:3][CH2:4][CH2:5][c:6]2[c:7]1[nH:8][c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]21