HRID192990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6344

Dichloromethane

CH2Cl2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

反应SMILES：CC(c1ccc(-c2ccc(F)cc2F)cc1)N1CCC(CCO)(c2ccc(F)cc2)OC1=O

HCID68726141

未命名化合物

PRODUCTS

产物

反应SMILES：CC(c1ccc(-c2ccc(F)cc2F)cc1)N1CCC(CCOC(N)=O)(c2ccc(F)cc2)OC1=O

HCID178435777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eafea7fc935248408c7d75768145764e
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

[C:34]([Cl:35])([O:36][c:37]1[cH:38][cH:39][c:40]([N+:41]([O-:42])=[O:43])[cH:44][cH:46]1)=[O:45].[Cl:48][CH2:49][Cl:50].[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH3:16])[N:17]3[C:18](=[O:33])[O:19][C:20]([CH2:23][CH2:24][OH:25])([c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[CH2:21][CH2:22]3)[cH:13][cH:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH3:47]>>[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH3:16])[N:17]3[C:18](=[O:33])[O:19][C:20]([CH2:23][CH2:24][O:25][C:34](=[O:45])[NH2:47])([c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[CH2:21][CH2:22]3)[cH:13][cH:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1