HRID302068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID5359277

6-Chloropurine

C5H3ClN4

结构：FC(F)(F)Oc1cccc(-c2c[nH]c(C3CCNCC3)n2)c1

HCID178506376

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)Oc1cccc(-c2c[nH]c(C3CCN(c4ncnc5nc[nH]c45)CC3)n2)c1

HCID178506375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afe74d456b6d4763ad6d0f28ce3a554e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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