Hexane → HCID 15158801, compound

HRID 2142053Notes

Reaction equation

HRID 2142053 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]([C:5](=[O:6])[c:7]1[s:8][c:9]2[c:10]([n:11]1)[cH:12][cH:13][c:14]([OH:16])[cH:15]2)[CH2:17][CH2:18][O:19][C:20]([c:21]1[cH:22][c:23]([OH:27])[cH:24][cH:25][cH:26]1)=[C:28]1[CH:29]2[CH2:30][CH:31]3[CH2:32][CH:33]([CH2:34][CH:35]1[CH2:36]3)[CH2:37]2.[C:44]([CH3:45])(=[O:46])[O:47][CH2:48][CH3:49].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43]>>[C:1]([CH3:2])(=[O:3])[N:4]([C:5](=[O:6])[c:7]1[s:8][c:9]2[c:10]([n:11]1)[cH:12][cH:13][c:14]([OH:16])[cH:15]2)[CH2:17][CH2:18][O:19][C:20]([c:21]1[cH:22][c:23]([O:27][C:44]([CH3:45])=[O:46])[cH:24][cH:25][cH:26]1)=[C:28]1[CH:29]2[CH2:30][CH:31]3[CH2:32][CH:33]([CH2:34][CH:35]1[CH2:36]3)[CH2:37]2

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 15158800HCID 15158800, compound

Product 1

HCID 15158801HCID 15158801, compound

Sources & evidence

ORD record
ord-3416f393469e48e089e4391ca1709b28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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