HRID1127899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6329

Methylamine

CH5N

HCID6342

Acetonitrile

C2H3N

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

PRODUCTS

产物

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

HCID57505747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2ba4cec584b64e809c19be9f530ee7fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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