Toluene → HCID 18461251, compound

HRID 1560449Notes

Reaction equation

HRID 1560449 reaction equation
[C:33]([O:34][CH2:35][CH3:36])(=[O:37])[CH3:38].[C:46]([O:47][CH2:48][CH3:49])(=[O:50])[CH3:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][c:16]([N+:28]([O-:29])=[O:30])[c:17]([N:19]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH3:27])[cH:18]2)[cH:31][cH:32]1.[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][c:16]([NH2:28])[c:17]([N:19]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH3:27])[cH:18]2)[cH:31][cH:32]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 18461309HCID 18461309, compound

Product 1

HCID 18461251HCID 18461251, compound

Sources & evidence

ORD record
ord-218dfa6258594c00adbd3596122a1f55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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