HRID165052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6559

2-Methylpropanenitrile

C4H7N

HCID7294

Methyl acrylate

C4H6O2

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

结构：COc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(F)cccc1Br

HCID57857530

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1c2cccc(F)c2NC(=O)N1c1cc(C(F)(F)F)ccc1OC

HCID12001993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-089a4b7c478f491197d30e7792f04af2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[NH:12][c:13]2[c:14]([O:23][CH3:24])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[C:54]([CH:55]=[CH2:56])(=[O:57])[O:58][CH3:59].[C:60](#[N:61])[CH:62]([CH3:63])[CH3:64].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[OH2:65].[c:32]1([CH3:33])[cH:34][cH:35][cH:36][cH:37][c:38]1[P:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53]>>[c:2]12[c:3]([c:4]([F:8])[cH:5][cH:6][cH:7]1)[NH:9][C:10](=[O:11])[N:12]([c:13]1[c:14]([O:23][CH3:24])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)[CH:56]2[CH2:55][C:54](=[O:57])[O:58][CH3:59]