HRID2139626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID3016376

4-(Chloromethyl)benzophenone

C14H11ClO

HCID5359277

6-Chloropurine

C5H3ClN4

结构：Nc1ncnc2c1ncn2Cc1ccc(C(=O)c2ccccc2)cc1

HCID9905527

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1

HCID23287380

[4-[(6-Chloro-9H-purin-9-yl)methyl]phenyl]phenylmethanone

C19H13ClN4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66c7b3e651d34150ad0225ae158d4e57
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][cH:11][c:12]([CH2:13][n:14]2[c:15]3[n:16][cH:17][n:18][c:19]([NH2:23])[c:20]3[n:21][cH:22]2)[cH:24][cH:25]1.[C:36]([c:37]1[cH:38][cH:39][c:40]([CH2:41][Cl:42])[cH:43][cH:44]1)(=[O:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:26][c:27]1[n:28][cH:29][n:30][c:31]2[c:32]1[nH:33][cH:34][n:35]2.[K+:52].[K+:53].[O-:54][C:55]([O-:56])=[O:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][cH:11][c:12]([CH2:13][n:14]2[c:15]3[n:16][cH:17][n:18][c:19]([Cl:26])[c:20]3[n:21][cH:22]2)[cH:24][cH:25]1