HRID1226201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID10009

3-Pyridinamine

C5H6N2

HCID81531

Diisopropylethylamine

C8H19N

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

HCID66876372

未命名化合物

PRODUCTS

产物

HCID24964058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-96fe50dae012467586abf56b14518fb3
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

[Br:8][c:9]1[cH:10][n:11][c:12]([O:15][c:16]2[cH:17][c:18]([CH:22]=[C:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:19][cH:20][cH:21]2)[n:13][cH:14]1.[CH3:61][C:62]#[N:63].[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:45][c:46]1[cH:47][n:48][cH:49][cH:50][cH:51]1.[n:29]1[cH:30][c:31]([NH:35][C:36]([O:37][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:38])[cH:32][cH:33][cH:34]1>>[Br:8][c:9]1[cH:10][n:11][c:12]([O:15][c:16]2[cH:17][c:18]([CH:22]=[C:23]3[CH2:24][CH2:25][N:26]([C:36]([NH:35][c:31]4[cH:30][n:29][cH:34][cH:33][cH:32]4)=[O:37])[CH2:27][CH2:28]3)[cH:19][cH:20][cH:21]2)[n:13][cH:14]1