HRID92952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1134

未命名化合物

HCID1140

Toluene

C7H8

HCID6367

Acetyl chloride

C2H3ClO

HCID521717

2-PYRIMIDINAMINE, N,N-DIMETHYL-

C6H9N3

HCID53866294

未命名化合物

PRODUCTS

产物

HCID178444957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ecde8823c8fb414bb76fba0f44f2ab43
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

[CH2:1]([CH2:2][CH:3]=[CH:4][CH:5]=[CH2:6])[O:7][c:8]1[cH:9][cH:10][c:11]([C:12]([c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH:22]=[CH:23][CH:24]=[CH2:25])[cH:17][cH:18]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[OH:32])[cH:33][cH:34]1.[CH3:35][C:36](=[O:37])[Cl:38].[CH3:39][c:40]1[cH:41][n:42]([CH:43]2[CH2:44][CH:45]([OH:46])[CH:47]([CH2:48][OH:49])[O:50]2)[c:51](=[O:52])[nH:53][c:54]1=[O:55].[CH3:56][N:57]([c:58]1[n:59][cH:60][cH:61][cH:62][n:63]1)[CH3:64].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[cH:72]1[cH:73][cH:74][n:75][cH:76][cH:77]1>>[CH2:1]([CH2:2][CH:3]=[CH:4][CH:5]=[CH2:6])[O:7][c:8]1[cH:9][cH:10][c:11]([C:12]([c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH:22]=[CH:23][CH:24]=[CH2:25])[cH:17][cH:18]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[O:32][CH2:48][CH:47]2[CH:45]([OH:46])[CH2:44][CH:43]([n:42]3[cH:41][c:40]([CH3:39])[c:54](=[O:55])[nH:53][c:51]3=[O:52])[O:50]2)[cH:33][cH:34]1