HRID2157754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24813

Phosphoric trichloride

Cl3OP

结构：CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1

HCID736917

1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid

C17H23NO4

HCID59148388

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)(c2ccccc2)CC1

HCID67437074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-168251c957f34ce5a2df75df55b44294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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