Toluene → HCID 18461361, compound

HRID 2137597Notes

Reaction equation

HRID 2137597 reaction equation
[C:27]([O:28][CH2:29][CH3:30])(=[O:31])[CH3:32].[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[OH:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([N+:21]([O-:22])=[O:23])[c:10]([N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH3:20])[cH:11]2)[cH:24][cH:25][cH:26]1.[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[OH:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([NH2:21])[c:10]([N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH3:20])[cH:11]2)[cH:24][cH:25][cH:26]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 18461410HCID 18461410, compound

Product 1

HCID 18461361HCID 18461361, compound

Sources & evidence

ORD record
ord-c930a7d5f6dd4ecd969e361e1ab3d80a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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