Hydrochloric Acid → Elsibucol

HRID 1150234Notes

Reaction equation

[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([S:16][C:17]([CH3:18])([CH3:19])[S:20][c:21]2[cH:22][c:23]([C:39]([CH3:40])([CH3:41])[CH3:42])[c:24]([O:25][CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[c:33]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:34]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[ClH:46].[Li+:45].[OH-:44].[OH2:43]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([S:16][C:17]([CH3:18])([CH3:19])[S:20][c:21]2[cH:22][c:23]([C:39]([CH3:40])([CH3:41])[CH3:42])[c:24]([O:25][CH2:26][CH2:27][CH2:28][C:29](=[O:30])[OH:31])[c:33]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:34]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 961Hydroxide

HCID 962Water

HCID 28486Lithium ion

HCID 18756961Methyl 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyrate

Product 1

HCID 10218732Elsibucol

Sources & evidence

ORD record: ord-01de44cefdeb4fb3b3feebf72782af36
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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