Hexane → HCID 23114428, compound

HRID 178507Notes

Reaction equation

HRID 178507 reaction equation
[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][CH:2]([c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1)[c:31]1[cH:32][cH:33][c:34]([CH:37]([CH3:38])[CH3:39])[cH:35][cH:36]1>>[CH2:2]([c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1)[c:31]1[cH:32][cH:33][c:34]([CH:37]([CH3:38])[CH3:39])[cH:35][cH:36]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 23114210HCID 23114210, compound

Product 1

HCID 23114428HCID 23114428, compound

Sources & evidence

ORD record
ord-3f4963fc03ca4a2d8243cb7aa94a5b1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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