Toluene → HCID 44139723, compound

HRID 1146001Notes

Reaction equation

HRID 1146001 reaction equation
[CH3:11][C:12]([CH:13]=[O:14])([CH3:15])[CH3:16].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:1]1([CH2:7][C:8](=[O:9])[NH2:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1.[nH:17]1[n:18][n:19][c:20]2[c:21]1[cH:22][cH:23][cH:24][cH:25]2>>[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:13]([C:12]([CH3:11])([CH3:15])[CH3:16])[n:17]2[n:18][n:19][c:20]3[c:21]2[cH:22][cH:23][cH:24][cH:25]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 7680BenzeneacetamideHCID 12417PivalaldehydeHCID 178418385HCID 178418385, compound

Product 1

HCID 44139723HCID 44139723, compound

Sources & evidence

ORD record
ord-17a18f00562d4c05be8e8c02e680ced8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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