HRID2319801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID78328

1-Piperazinepropanamine, 4-methyl-

C8H19N3

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(CCCNc2nccc(-c3cccnc3Oc3ccc(Nc4nc5cc(F)c(F)cc5[nH]4)cc3)n2)CC1

HCID58966973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f5f254a7a6540c3b9e297003d894e6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:36][N:37]1[CH2:38][CH2:39][N:40]([CH2:43][CH2:44][CH2:45][NH2:46])[CH2:41][CH2:42]1.[CH3:47][CH:48]([OH:49])[CH3:50].[Cl:51][CH2:52][Cl:53].[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: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:46][CH2:45][CH2:44][CH2:43][N:40]5[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]5)[n:26][cH:27][cH:28]4)[cH:14][cH:15]3)[n:8]2)[cH:33][c:34]1[F:35]