HRID2349025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID57416439

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

C11H15BF3N3O2

PRODUCTS

生成物

结构：Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3C(F)(F)F)nc12

HCID66934268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6074695866a48f3b3f4c0994534ee40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[c:16]([CH3:31])[c:17]3[n:18][c:19]([Cl:30])[n:20][c:21]([N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[c:22]3[s:23]2)[CH2:12][CH2:13]1.[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([c:40]2[c:41]([C:47]([F:48])([F:49])[F:50])[n:42][c:43]([NH2:46])[n:44][cH:45]2)[O:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[c:16]([CH3:31])[c:17]3[n:18][c:19](-[c:40]4[c:41]([C:47]([F:48])([F:49])[F:50])[n:42][c:43]([NH2:46])[n:44][cH:45]4)[n:20][c:21]([N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[c:22]3[s:23]2)[CH2:12][CH2:13]1