Hexane → HCID 15952970, compound

HRID 2324053Notes

Reaction equation

HRID 2324053 reaction equation
[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH:1](=[O:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]3[CH2:18][c:19]4[n:20]([c:28]([C:31](=[O:32])[NH:33][CH2:34][c:35]5[cH:36][n:37][cH:38][cH:39][cH:40]5)[cH:29][cH:30]4)[CH2:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1>>[CH2:1]([OH:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]3[CH2:18][c:19]4[n:20]([c:28]([C:31](=[O:32])[NH:33][CH2:34][c:35]5[cH:36][n:37][cH:38][cH:39][cH:40]5)[cH:29][cH:30]4)[CH2:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 15952274HCID 15952274, compound

Product 1

HCID 15952970HCID 15952970, compound

Sources & evidence

ORD record
ord-04ddec29b3b64641b87968936c567f3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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