HRID139559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

反应SMILES：Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

HCID57385788

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(CCl)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

HCID57505744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a8b56af6dad04560890c8b534adb2cc0
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

[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl-:43].[Cl:31][CH2:32][C:33](=[O:34])[Cl:35].[NH2:1][c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1.[NH4+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1)[C:33]([CH2:32][Cl:31])=[O:34]