HRID101555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID7892

2-Methylpentane

C6H14

HCID7912

Diisopropylamine

C6H15N

HCID79434

5-Pyrimidinamine, 4,6-dichloro-

C4H3Cl2N3

结构：Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1N

HCID11450304

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1Nc1ncnc(Cl)c1N

HCID86759591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad4de28c4ed84d36a1b71d9ca1ca063d
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

[CH2:54]([OH:55])[CH2:56][CH2:57][CH3:58].[CH3:42][CH2:43][CH2:44][CH:45]([CH3:46])[CH3:47].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[CH:35]([NH:36][CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:1].[NH2:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]2[cH:22][c:23]([F:33])[cH:24][c:25]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:26]2)=[O:34])[cH:15][cH:16][c:17]1[CH3:18].[NH2:2][c:3]1[c:4]([Cl:10])[n:5][cH:6][n:7][c:8]1[Cl:9].[OH2:53]>>[NH2:2][c:3]1[c:4]([Cl:10])[n:5][cH:6][n:7][c:8]1[NH:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]2[cH:22][c:23]([F:33])[cH:24][c:25]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:26]2)=[O:34])[cH:15][cH:16][c:17]1[CH3:18]