HRID1147725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6422

未命名化合物

HCID737253

4-(4-Methylpiperazino)aniline

C11H17N3

结构：CS(=O)(=O)c1nccc(-c2cccnc2Oc2ccc(Nc3nc4cc(F)c(F)cc4[nH]3)cc2)n1

HCID66862953

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(Nc3nccc(-c4cccnc4Oc4ccc(Nc5nc6cc(F)c(F)cc6[nH]5)cc4)n3)cc2)CC1

HCID58966968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc6f4f8916a7484d8d84de8b7c54a519
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

[CH3:36][N:37]1[CH2:38][CH2:39][N:40]([c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][cH:48]2)[CH2:41][CH2:42]1.[CH3:57][CH:58]([OH:59])[CH3:60].[F:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([NH:9][c:10]3[cH:11][cH:12][c:13]([O:16][c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4-[c:23]4[n:24][c:25]([S:29]([CH3:30])(=[O:31])=[O:32])[n:26][cH:27][cH:28]4)[cH:14][cH:15]3)[n:8]2)[cH:33][c:34]1[F:35].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([NH:9][c:10]3[cH:11][cH:12][c:13]([O:16][c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4-[c:23]4[n:24][c:25]([NH:49][c:46]5[cH:45][cH:44][c:43]([N:40]6[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]6)[cH:48][cH:47]5)[n:26][cH:27][cH:28]4)[cH:14][cH:15]3)[n:8]2)[cH:33][c:34]1[F:35]