HRID205554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID2060855

1-[3-(Trifluoromethyl)benzyl]piperazine

C12H15F3N2

结构：O=C(O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O

HCID67357191

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

HCID57402039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84fb69c86f63475c9a86d6b51914e7bd
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

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