Toluene → HCID 23650960, compound

HRID 2160794Notes

Reaction equation

HRID 2160794 reaction equation
[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

Participants

6

Reactant 5

HCID 1140TolueneHCID 14801Manganese dioxideHCID 220555474-Fluoro-3-methylbenzene-1,2-diamineHCID 24804053[5-(5-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amineHCID 462215604-Methyl-2-((3-(1-methylpiperidin-4-yl)propyl)amino)pyrimidine-5-carbaldehyde

Product 1

HCID 23650960HCID 23650960, compound

Sources & evidence

ORD record
ord-e8be2873169548ae9ef5db577d39a3e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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