Toluene → HCID 178462529, compound

HRID 688399Notes

Reaction equation

HRID 688399 reaction equation
[CH2:5]([CH3:6])[N:7]1[CH2:8][CH2:9][CH:10]([c:13]2[cH:14][cH:15][c:16]([C:17]([O:19][CH3:18])=[O:20])[cH:21][cH:22]2)[CH2:11][CH2:12]1.[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>>[CH2:5]([CH3:6])[N:7]1[CH2:8][CH2:9][CH:10]([c:13]2[cH:14][cH:15][c:16]([C:17](=[O:19])[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:21][cH:22]2)[CH2:11][CH2:12]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589801HCID 66589801, compoundHCID 178489815HCID 178489815, compound

Product 1

HCID 178462529HCID 178462529, compound

Sources & evidence

ORD record
ord-3baa408e99a14b2a86cfbebdf5e3abcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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