Toluene → HCID 178489802, compound

HRID 210597Notes

Reaction equation

HRID 210597 reaction equation
[CH2:23]1[N:24]([c:33]2[n:34][cH:35][c:36]([C:39](=[O:40])[O:41][CH3:42])[cH:37][n:38]2)[CH2:25][CH2:26][N:27]2[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32]2.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]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:39]([c:36]3[cH:35][n:34][c:33]([N:24]4[CH2:23][CH:28]5[N:27]([CH2:26][CH2:25]4)[CH2:32][CH2:31][CH2:30][CH2:29]5)[n:38][cH:37]3)=[O:40])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589987Methyl 2-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c]pyrazin-2-yl)pyrimidine-5-carboxylateHCID 178489815HCID 178489815, compound

Product 1

HCID 178489802HCID 178489802, compound

Sources & evidence

ORD record
ord-7374daab1b844ef2bb2f00c90e2f14a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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