HRID104470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID16109004

4-(2-Chloropyridin-3-yl)-N-methylpyrimidin-2-amine

C10H9ClN4

结构：Oc1ccc(Cc2nnc(-c3ccccc3)c3ccccc23)cc1

HCID57756258

未命名化合物

PRODUCTS

生成物

结构：CNc1nccc(-c2cccnc2Oc2ccc(Cc3nnc(-c4ccccc4)c4ccccc34)cc2)n1

HCID57756268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cfb6992c4c94d069a9e26b933d5f22c
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

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