Toluene → HCID 178489788, compound

HRID 1116343Notes

Reaction equation

HRID 1116343 reaction equation
[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:23][O:24][c:25]1[cH:26][c:27]([CH2:33][CH2:34][c:35]2[cH:36][c:37]([NH2:40])[nH:38][n:39]2)[cH:28][c:29]([O:31][CH3:32])[cH:30]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:13]2[n:14][cH:15][c:16]([C:19]([O:21][CH3:20])=[O:22])[cH:17][n:18]2)[CH2:10][CH2:11][CH2:12]1>>[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:13]2[n:14][cH:15][c:16]([C:19](=[O:21])[NH:40][c:37]3[cH:36][c:35]([CH2:34][CH2:33][c:27]4[cH:26][c:25]([O:24][CH3:23])[cH:30][c:29]([O:31][CH3:32])[cH:28]4)[n:39][nH:38]3)[cH:17][n:18]2)[CH2:10][CH2:11][CH2:12]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589654Methyl 2-(4-methyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylateHCID 178489815HCID 178489815, compound

Product 1

HCID 178489788HCID 178489788, compound

Sources & evidence

ORD record
ord-ad4e830cfb7f4c5c9825b02ccb0ca002
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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