Toluene → HCID 178462583, compound

HRID 281202Notes

Reaction equation

HRID 281202 reaction equation
[CH2:5]([CH3:6])[N:7]1[CH2:8][CH2:9][N:10]([c:14]2[n:15][cH:16][c:17]([C:20]([O:22][CH3:21])=[O:23])[cH:18][n:19]2)[CH2:11][CH2:12][CH2:13]1.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:24][O:25][c:26]1[cH:27][c:28]([CH2:34][CH2:35][c:36]2[cH:37][c:38]([NH2:41])[nH:39][n:40]2)[cH:29][c:30]([O:32][CH3:33])[cH:31]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:5]([CH3:6])[N:7]1[CH2:8][CH2:9][N:10]([c:14]2[n:15][cH:16][c:17]([C:20](=[O:22])[NH:41][c:38]3[cH:37][c:36]([CH2:35][CH2:34][c:28]4[cH:27][c:26]([O:25][CH3:24])[cH:31][c:30]([O:32][CH3:33])[cH:29]4)[n:40][nH:39]3)[cH:18][n:19]2)[CH2:11][CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589959Methyl 2-(4-ethyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylateHCID 178489815HCID 178489815, compound

Product 1

HCID 178462583HCID 178462583, compound

Sources & evidence

ORD record
ord-81fa960109be4873ae77d0405bab1886
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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