HRID678385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID69110

Benzoyl chloride, 2-chloro-

C7H4Cl2O

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)NCc1c(-c3noc(C4CC4)n3)ncn1-2

HCID9993744

未命名化合物

HCID11007884

2-Amino-3,4-dimethylpyridine

C7H10N2

PRODUCTS

生成物

结构：O=C(c1ccccc1Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21

HCID10070610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a47a8105c934e9faf16234f5f0ceece
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:50]([O:51][CH2:52][CH3:53])[CH3:54].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:32][c:33]1[cH:34][cH:35][n:36][c:37]([NH2:38])[c:39]1[CH3:40].[CH:1]1([c:4]2[n:5][c:6](-[c:9]3[n:10][cH:11][n:12]4[c:13]3[CH2:14][NH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3-4)[n:7][o:8]2)[CH2:2][CH2:3]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[Cl:31]>>[CH:1]1([c:4]2[n:5][c:6](-[c:9]3[n:10][cH:11][n:12]4[c:13]3[CH2:14][N:15]([C:23](=[O:24])[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[Cl:31])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3-4)[n:7][o:8]2)[CH2:2][CH2:3]1