HRID105631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID84468

Trifluoroacetate

C2F3O2-

HCID15563644

2,6-Dichloro-N-methylpyrimidin-4-amine

C5H5Cl2N3

HCID59242499

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(Cl)nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

HCID86640079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26058d91528c4163aa8031229c8e7e5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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