HRID2337847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3572763

2-Chloro-5-ethylpyrimidine

C6H7ClN2

结构：Fc1cc(N2CCC(=NOC3CCNCC3)CC2)c(F)cc1Br

HCID86655028

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(N2CCC(ON=C3CCN(c4cc(F)c(Br)cc4F)CC3)CC2)nc1

HCID86655029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d55bd2d2bb6847e29e80535208e812d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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