HRID681768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1cc(Nc2ncnc3ccn(CCNC(=O)OC(C)(C)C)c23)ccc1Oc1cccc(C(F)(F)F)c1

HCID86615773

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2ncnc3ccn(CCN)c23)ccc1Oc1cccc(C(F)(F)F)c1

HCID67520522

5-(2-aminoethyl)-N-{3-methyl-4-[3-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C22H20F3N5O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f81e6b578594efc8e637d42dbfa3309
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

[CH3:1][c:2]1[cH:3][c:4]([NH:19][c:20]2[c:21]3[c:22]([n:23][cH:24][n:25]2)[cH:26][cH:27][n:28]3[CH2:29][CH2:30][NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]1.[Cl:46][CH2:47][Cl:48].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[CH3:1][c:2]1[cH:3][c:4]([NH:19][c:20]2[c:21]3[c:22]([n:23][cH:24][n:25]2)[cH:26][cH:27][n:28]3[CH2:29][CH2:30][NH2:31])[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]1