HRID211432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2777432

N-{Hydroxy[3-(trifluoromethyl)phenyl]methylidene}glycine

C10H8F3NO3

结构：C=CCOC1CN(C(=O)OCc2ccccc2)CC1NC(=O)OC(C)(C)C

HCID66787326

未命名化合物

PRODUCTS

生成物

结构：C=CCOC1CN(C(=O)OCc2ccccc2)CC1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

HCID66787532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ff818f50b684665a60c17afc8853f60
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

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