HRID950115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID7288

3-Pentanone

C5H10O

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID21075716

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCc1nc2cnc3ccccc3c2n1N=C(CC)CC

HCID21075787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7c2d9e7615bc462fb7ef5a1c4123a37e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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