HRID681152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID14809282

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

C7H6ClN3

HCID86607289

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cccc(Oc5ccc(F)cc5)c4)CC3)c12

HCID11719253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3285a3a7b7c64f11b7d48066b7344de0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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