HRID211226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID277

Carbamic acid

CH3NO2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID66875805

未命名化合物

HCID67159049

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(C(F)(F)F)c(F)c4)c3)c2cc1OC

HCID58267872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f7ff2f3ad924deea3821b2b18f7e820
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

[C:1](=[O:2])([OH:3])[NH2:4].[CH3:20][O:21][c:22]1[cH:23][c:24]2[c:25]([O:37][c:38]3[cH:39][c:40]([NH2:41])[cH:42][cH:43][cH:44]3)[n:26][cH:27][n:28][c:29]2[cH:30][c:31]1[O:32][CH2:33][CH2:34][O:35][CH3:36].[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[F:5][c:6]1[cH:7][c:8]([NH:16][C:17]([OH:18])=[O:19])[cH:9][cH:10][c:11]1[C:12]([F:13])([F:14])[F:15]>>[F:5][c:6]1[cH:7][c:8]([NH:16][C:17](=[O:19])[NH:41][c:40]2[cH:39][c:38]([O:37][c:25]3[c:24]4[cH:23][c:22]([O:21][CH3:20])[c:31]([O:32][CH2:33][CH2:34][O:35][CH3:36])[cH:30][c:29]4[n:28][cH:27][n:26]3)[cH:44][cH:43][cH:42]2)[cH:9][cH:10][c:11]1[C:12]([F:13])([F:14])[F:15]