HRID1125921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID23650837

2-Chloro-6-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine

C16H22ClN5O3S2

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：CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)c3s2)CC1

HCID58233894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f1e78d705e64d19b85f4e42bb718030
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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