HRID115639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID224573

Quinoxalin-2-amine

C8H7N3

HCID46835219

4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide

C13H12FN3O2

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cnc4ccccc4n3)c(F)c2)ccn1

HCID59987494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b39810cdeea14bc2be164362e52acba5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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