HRID1221778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：O=C(O)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619321

未命名化合物

HCID67131121

未命名化合物

结构：CCOC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1

HCID68645493

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(Oc2ccc(NC(=O)C(C3CCCCC3)n3c(-c4ccc(Cl)cc4)nc4cc(F)c(F)cc43)c(F)c2)CC1

HCID68645482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5726391a4f7c4f679678941d788362ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:9][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:20]2[c:21](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[n:22][c:23]3[c:24]2[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]3)=[O:38])[cH:10][cH:11]1)[CH3:39].[CH3:68][O:69][C:70](=[O:71])[C:72]1([O:75][c:76]2[cH:77][c:78]([F:83])[c:79]([NH2:82])[cH:80][cH:81]2)[CH2:73][CH2:74]1.[CH3:84][N:85]([CH3:86])[c:87]1[cH:88][cH:89][n:90][cH:91][cH:92]1.[Cl:40][c:41]1[cH:42][cH:43][c:44](-[c:45]2[n:46]([CH:47]([CH:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[C:54]([OH:55])=[O:56])[c:57]3[cH:58][c:59]([F:60])[c:61]([F:62])[cH:63][c:64]3[n:65]2)[cH:66][cH:67]1>>[C:12]([CH:13]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[n:20]1[c:21](-[c:31]2[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]2)[n:22][c:23]2[c:24]1[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]2)(=[O:38])[NH:82][c:79]1[c:78]([F:83])[cH:77][c:76]([O:75][C:72]2([C:70]([O:69][CH3:68])=[O:71])[CH2:73][CH2:74]2)[cH:81][cH:80]1