HRID182306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID142825

1-[(Pyrrolidin-2-yl)methyl]pyrrolidine

C9H18N2

HCID2782719

4'-(Trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid

C14H9F3O2

PRODUCTS

生成物

结构：O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCCC1CN1CCCC1

HCID11689901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f83a3987798244f191cf5d793e2cb1ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:20]([Cl:21])[CH2:22][Cl:23].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:54][CH2:55][Cl:56].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][cH:14]2)[cH:7][cH:8]1)([F:18])[F:19].[NH:43]1[CH:44]([CH2:48][N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)[CH2:45][CH2:46][CH2:47]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:68].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:17])[N:43]3[CH:44]([CH2:48][N:49]4[CH2:50][CH2:51][CH2:52][CH2:53]4)[CH2:45][CH2:46][CH2:47]3)[cH:13][cH:14]2)[cH:7][cH:8]1)([F:18])[F:19]