Toluene → HCID 178489763, compound

HRID 2332259Notes

Reaction equation

HRID 2332259 reaction equation
[CH3:19][O:20][c:21]1[cH:22][c:23]([CH2:29][CH2:30][c:31]2[cH:32][c:33]([NH2:36])[nH:34][n:35]2)[cH:24][c:25]([O:27][CH3:28])[cH:26]1.[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:9]2[cH:10][cH:11][c:12]([C:14]([O:16][CH2:15][CH3:17])=[O:18])[s:13]2)[CH2:6][CH2:7][CH2:8]1.[CH3:37][Al:38]([CH3:39])[CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:9]2[cH:10][cH:11][c:12]([C:14](=[O:16])[NH:36][c:33]3[cH:32][c:31]([CH2:30][CH2:29][c:23]4[cH:22][c:21]([O:20][CH3:19])[cH:26][c:25]([O:27][CH3:28])[cH:24]4)[n:35][nH:34]3)[s:13]2)[CH2:6][CH2:7][CH2:8]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589793Ethyl 5-(4-methyl-1,4-diazepan-1-yl)thiophene-2-carboxylateHCID 178489815HCID 178489815, compound

Product 1

HCID 178489763HCID 178489763, compound

Sources & evidence

ORD record
ord-292f4ed35d404868ab018e81024bca6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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