HRID1146022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID60204207

未命名化合物

结构：COc1ccc(CN2Cc3c(Oc4ccc(N)nc4)ccnc3NC2=O)cc1

HCID70497142

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(Oc4ccc(NC(=O)c5c[nH]cc(-c6ccc(F)cc6)c5=O)nc4)ccnc3NC2=O)cc1

HCID68151044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f9586b67a674148a04bca3b3f78b8fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[F:29][c:30]1[cH:31][cH:32][c:33](-[c:36]2[c:37](=[O:45])[c:38]([C:42](=[O:43])[OH:44])[cH:39][nH:40][cH:41]2)[cH:34][cH:35]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[c:18]2[CH2:17][N:16]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[C:15](=[O:28])[NH:14]3)[cH:6][n:7]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[c:18]2[CH2:17][N:16]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[C:15](=[O:28])[NH:14]3)[cH:6][n:7]1)[C:42]([c:38]1[c:37](=[O:45])[c:36](-[c:33]2[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]2)[cH:41][nH:40][cH:39]1)=[O:43]