HRID2151632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID5360349

6-Chloro-2-aminopurine

C5H4ClN5

反应SMILES：Cc1cccc2cc(C(C)N)n(-c3ccccc3)c(=O)c12

HCID69033205

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cccc2cc(C(C)Nc3nc(N)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

HCID178423752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ede7e9d012fe44c1abc488496dac2cf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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