Toluene → HCID 86585881, compound

HRID 119686Notes

Reaction equation

HRID 119686 reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:5][Al:6]([CH3:7])[CH3:8].[F:9][C:10]([CH2:11][CH2:12][CH:13]1[CH2:14][CH:15]([CH:19]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[NH:27][C:28](=[O:29])[c:30]2[n:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[n:38][cH:39]2)[O:16][C:17]1=[O:18])([CH3:40])[CH3:41].[NH2:1][CH2:2][CH2:3][NH2:4]>>[NH:1]1[CH2:2][CH2:3][N:4]=[C:17]1[CH:13]([CH2:12][CH2:11][C:10]([F:9])([CH3:40])[CH3:41])[CH2:14][CH:15]([OH:16])[CH:19]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH:27][C:28](=[O:29])[c:30]1[n:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][cH:39]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 3301EthylenediamineHCID 16682925TrimethylaluminumHCID 76502387HCID 76502387, compound

Product 1

HCID 86585881HCID 86585881, compound

Sources & evidence

ORD record
ord-cabcfc848fa44befb17a6c0fd8ca4985
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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