HRID1150113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1549128

1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C7H10N2

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：O=C1N=C(N2CCn3cccc3C2)SC1=Cc1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1

HCID76756358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6611ccf116b4435c88ab18f23822639a
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

[CH2:35]1[c:36]2[n:37]([cH:41][cH:42][cH:43]2)[CH2:38][CH2:39][NH:40]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]([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]>>[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:40]5[CH2:35][c:36]6[n:37]([cH:41][cH:42][cH:43]6)[CH2:38][CH2:39]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]