HRID100964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62785919

未命名化合物

结构：CCSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1

HCID86654540

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C2CN(C3=NC(=O)C(=Cc4ccc5c(cnn5Cc5ccc(C(F)(F)F)cc5C(F)(F)F)c4)S3)C2)CC(C)O1

HCID124035119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0598af022ad34fe2b04e32fca562095a
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

[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:24])[N:18]=[C:19]([S:21][CH2:22][CH3:23])[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34].[NH:35]1[CH2:36][CH:37]([N:39]2[CH2:40][CH:41]([CH3:46])[O:42][CH:43]([CH3:45])[CH2:44]2)[CH2:38]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:24])[N:18]=[C:19]([N:35]5[CH2:36][CH:37]([N:39]6[CH2:40][CH:41]([CH3:46])[O:42][CH:43]([CH3:45])[CH2:44]6)[CH2:38]5)[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]