HRID817925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID13582270

1-(2-Aminopyrimidin-4-yl)ethan-1-one

C6H7N3O

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3ccccc3N)ccc2C(C)(C)C1

HCID69510706

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C)c1ccnc(N)n1

HCID59017468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37f61a57d606402a8af25bf1349d611f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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