Toluene → HCID 178489800, compound

HRID 87441Notes

Reaction equation

HRID 87441 reaction equation
[CH2:23]1[N:24]([c:32]2[n:33][cH:34][c:35]([C:38](=[O:39])[O:40][CH3:41])[cH:36][n:37]2)[CH2:25][CH2:26][N:27]2[CH:28]1[CH2:29][CH2:30][CH2:31]2.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH2:22])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1>>[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH:22][C:38]([c:35]3[cH:34][n:33][c:32]([N:24]4[CH2:23][CH:28]5[N:27]([CH2:26][CH2:25]4)[CH2:31][CH2:30][CH2:29]5)[n:37][cH:36]3)=[O:39])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589841methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl)pyrimidine-5-carboxylateHCID 178489815HCID 178489815, compound

Product 1

HCID 178489800HCID 178489800, compound

Sources & evidence

ORD record
ord-06a01253b9d84354b4087eb255d09d4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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