HRID688493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17750212

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

C10H16BN3O2

结构：Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)sc2c(N3CCOCC3)nc(Cl)nc12

HCID56648760

1,1-Dimethylethyl 4-[[2-chloro-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinecarboxylate

C21H30ClN5O3S

PRODUCTS

生成物

结构：Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12

HCID56648672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81107d39330b4a558e54134c8dc20300
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

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