HRID142647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID74939

3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid

C10H7F3O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21054686

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCNC21CCN(C(=O)C=Cc2ccccc2C(F)(F)F)CC1

HCID67224683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e65554ef8b0d4394a8a0ab7eb37a84bf
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

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