HRID188115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID78346

Pyrimidine-5-carboxylic acid

C5H4N2O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCN)CC2)n1

HCID69026067

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCNC(=O)c3cncnc3)CC2)n1

HCID86635173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-503f5ba702bb4e018fcb6d08feed1483
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]([CH:31]2[CH2:32][CH2:33][CH2:34]2)[cH:17][c:18]([N:20]2[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][CH2:28][CH2:29][NH2:30])[CH2:24][CH2:25]2)[n:19]1.[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:66][CH2:67][Cl:68].[ClH:54].[OH:44][c:45]1[c:46]2[n:47][n:48][nH:49][c:50]2[cH:51][cH:52][cH:53]1.[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[cH:6]1>>[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:9])[NH:30][CH2:29][CH2:28][CH2:27][CH2:26][N:23]2[CH2:22][CH2:21][N:20]([c:18]3[cH:17][c:16]([CH:31]4[CH2:32][CH2:33][CH2:34]4)[n:15][c:14]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:19]3)[CH2:25][CH2:24]2)[cH:6]1