HRID1203931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9708

3-Chloro-4-fluoroaniline

C6H5ClFN

HCID24813

Phosphoric trichloride

Cl3OP

HCID135437116

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1

HCID11604752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-042e521ce925438abb653be458cbd588
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

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