HRID289893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID2777432

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

C10H8F3NO3

HCID178457075

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(CO)C1

HCID178457078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd2a8340aaee4ced9ee11e99f5edc57c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[Cl:18][C:19]([O:20][CH2:21][CH:22]([CH3:23])[CH3:24])=[O:25].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15]1)([F:16])[F:17].[NH2:26][CH:27]1[CH:28]([CH2:38][OH:39])[CH2:29][CH:30]([N:33]([CH3:34])[CH:35]([CH3:36])[CH3:37])[CH2:31][CH2:32]1.[OH2:45]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:12])[NH:26][CH:27]2[CH:28]([CH2:38][OH:39])[CH2:29][CH:30]([N:33]([CH3:34])[CH:35]([CH3:36])[CH3:37])[CH2:31][CH2:32]2)[cH:13][cH:14][cH:15]1)([F:16])[F:17]