Ethanol → HCID 54485469, compound

HRID 145789Notes

Reaction equation

HRID 145789 reaction equation
[C:1]([CH:2]=[CH2:3])(=[O:4])[O:5][CH:6]([CH2:7][S:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH2:16][S:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH2:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[SH:37].[CH3:39][CH2:40][OH:41].[OH2:38]>>[C:1]([CH2:2][CH2:3][S:37][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])(=[O:4])[O:5][CH:6]([CH2:7][S:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH2:16][S:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 81951-DodecanethiolHCID 54311286HCID 54311286, compound

Product 1

HCID 54485469HCID 54485469, compound

Sources & evidence

ORD record
ord-16889bf53c3447beb0f8948596a3a18d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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