Toluene → HCID 178489759, compound

HRID 160698Notes

Reaction equation

HRID 160698 reaction equation
[CH3:22][O:23][c:24]1[cH:25][c:26]([CH2:32][CH2:33][c:34]2[cH:35][c:36]([NH2:39])[nH:37][n:38]2)[cH:27][c:28]([O:30][CH3:31])[cH:29]1.[CH3:40][Al:41]([CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]1([N:4]2[CH2:5][CH2:6][N:7]([c:11]3[cH:12][cH:13][c:14]([C:15]([O:17][CH2:16][CH3:18])=[O:19])[cH:20][cH:21]3)[CH2:8][CH2:9][CH2:10]2)[CH2:2][CH2:3]1>>[CH:1]1([N:4]2[CH2:5][CH2:6][N:7]([c:11]3[cH:12][cH:13][c:14]([C:15](=[O:17])[NH:39][c:36]4[cH:35][c:34]([CH2:33][CH2:32][c:26]5[cH:25][c:24]([O:23][CH3:22])[cH:29][c:28]([O:30][CH3:31])[cH:27]5)[n:38][nH:37]4)[cH:20][cH:21]3)[CH2:8][CH2:9][CH2:10]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589916Ethyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoateHCID 178489815HCID 178489815, compound

Product 1

HCID 178489759HCID 178489759, compound

Sources & evidence

ORD record
ord-a8d461c9c5b040b28e974de27021b697
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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