HRID2136216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

结构：Cc1ccc(-n2cc(CCN3CCOCC3)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11692340

未命名化合物

结构：Cc1ccc(S(=O)(=O)OCCc2cn(-c3ccc(C)c(C(=O)c4ccc(Nc5ccc(F)cc5F)cc4Cl)c3)nn2)cc1

HCID86605530

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCc1cn(-c2ccc(C)c(C(=O)c3ccc(Nc4ccc(F)cc4F)cc3Cl)c2)nn1

HCID11692166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b9ef0040b694d24898fb6ff38cfdc26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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