Toluene → HCID 178495784, compound

HRID 1535120Notes

Reaction equation

HRID 1535120 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][cH:13][c:14]([C:15]([O:17][CH3:16])=[O:18])[cH:19][cH:20]2)[CH2:9][CH2:10]1.[CH3:21][O:22][c:23]1[cH:24][c:25]([CH2:31][CH2:32][c:33]2[cH:34][c:35]([NH2:38])[nH:36][n:37]2)[cH:26][c:27]([O:29][CH3:30])[cH:28]1.[CH3:39][Al:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][cH:13][c:14]([C:15](=[O:17])[NH:38][c:35]3[cH:34][c:33]([CH2:32][CH2:31][c:25]4[cH:24][c:23]([O:22][CH3:21])[cH:28][c:27]([O:29][CH3:30])[cH:26]4)[n:37][nH:36]3)[cH:19][cH:20]2)[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589759Methyl 4-(1-(2-methoxyethyl)piperidin-4-yl)benzoateHCID 178489815HCID 178489815, compound

Product 1

HCID 178495784HCID 178495784, compound

Sources & evidence

ORD record
ord-ab44577c173c46ff8f76276207efc071
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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