HRID95654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID53167

1-Methylpiperazine

C5H12N2

结构：O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1

HCID214348

Deferasirox

C21H15N3O4

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2ccc(-n3nc(-c4ccccc4O)nc3-c3ccccc3O)cc2)CC1

HCID135817466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c5cdcaa30434b42af6936d529a667cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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