HRID1238838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18953632

1-(Pyrimidin-5-yl)methanamine

C5H7N3

结构：CSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1

HCID86654543

未命名化合物

PRODUCTS

生成物

结构：O=C1N=C(NCc2cncnc2)SC1=Cc1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1

HCID178518107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92c68a2d321a4ad5a808962478709204
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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