Toluene → HCID 178456213, compound

HRID 1574226Notes

Reaction equation

HRID 1574226 reaction equation
[CH2:1]([CH:2]=[CH2:3])[N:4]1[CH2:5][CH2:6][CH:7]([c:10]2[cH:11][cH:12][c:13]([C:14]([O:16][CH3:15])=[O:17])[cH:18][cH:19]2)[CH2:8][CH2:9]1.[CH3:20][O:21][c:22]1[cH:23][c:24]([CH2:30][CH2:31][c:32]2[cH:33][c:34]([NH2:37])[nH:35][n:36]2)[cH:25][c:26]([O:28][CH3:29])[cH:27]1.[CH3:38][Al:39]([CH3:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:1]([CH:2]=[CH2:3])[N:4]1[CH2:5][CH2:6][CH:7]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:37][c:34]3[cH:33][c:32]([CH2:31][CH2:30][c:24]4[cH:23][c:22]([O:21][CH3:20])[cH:27][c:26]([O:28][CH3:29])[cH:25]4)[n:36][nH:35]3)[cH:18][cH:19]2)[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589778HCID 66589778, compoundHCID 178489815HCID 178489815, compound

Product 1

HCID 178456213HCID 178456213, compound

Sources & evidence

ORD record
ord-9dac9152479c40bfa13b7e6db270f6d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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