HRID206827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID13086907

4-Chloro-6-(trifluoromethyl)pyrimidin-2-amine

C5H3ClF3N3

结构：Nc1cc(F)c(Oc2ccnc3[nH]cc(C4CC4)c23)c(F)c1

HCID59740999

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5CC5)c34)c(F)c2)cc(C(F)(F)F)n1

HCID11496330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19b270a4e22745bdba116526e6888c0d
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

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