HRID1229935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734643

1-(2-Ethoxyethyl)piperazine

C8H18N2O

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：CCOCCN1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(C(F)(F)F)cc4C(F)(F)F)c3)S2)CC1

HCID86654569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2113b14a4b094bc6be0692b0cecbacc6
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

[CH2:34]([CH3:35])[O:36][CH2:37][CH2:38][N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]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]([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]>>[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]([N:42]5[CH2:41][CH2:40][N:39]([CH2:38][CH2:37][O:36][CH2:34][CH3:35])[CH2:44][CH2:43]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]