HRID2160794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID14801

Manganese oxide (Mn2O4)

MnO2

HCID22055547

4-Fluoro-3-methylbenzene-1,2-diamine

C7H9FN2

结构：Cc1c(F)ccc2[nH]c(-c3cnc(NCCCC4CCN(C)CC4)nc3)nc12

HCID24804053

未命名化合物

HCID46221560

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)c(F)ccc2[nH]1

HCID23650960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8be2873169548ae9ef5db577d39a3e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:29][c:30]1[c:31]([CH:32]=[O:33])[cH:34][n:35][c:36]([NH:37][CH2:38][CH2:39][CH2:40][CH:41]2[CH2:42][CH2:43][N:44]([CH3:45])[CH2:46][CH2:47]2)[n:48]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[F:1][c:2]1[c:3]([CH3:28])[c:4]2[c:5]([nH:6][c:7](-[c:9]3[cH:10][n:11][c:12]([NH:15][CH2:16][CH2:17][CH2:18][CH:19]4[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]4)[n:13][cH:14]3)[n:8]2)[cH:26][cH:27]1.[F:49][c:50]1[c:51]([CH3:52])[c:53]([NH2:54])[c:55]([NH2:56])[cH:57][cH:58]1.[O:66]=[Mn:67]=[O:68]>>[F:1][c:2]1[c:3]([CH3:28])[c:4]2[c:5]([nH:6][c:7](-[c:9]3[cH:10][n:11][c:12]([NH:15][CH2:16][CH2:17][CH2:18][CH:19]4[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]4)[n:13][c:14]3[CH3:29])[n:8]2)[cH:26][cH:27]1