Hydrochloric Acid → HCID 21100248, compound

HRID 193664Notes

Reaction equation

HRID 193664 reaction equation
[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1.[ClH:18].[n:19]1[c:20]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][n:30][c:31]([N:33]3[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]3)[s:32]2)[cH:21][cH:22][cH:23][cH:24]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[N:36]2[CH2:35][CH2:34][N:33]([c:31]3[n:30][cH:29][c:28]([S:25]([c:20]4[n:19][cH:24][cH:23][cH:22][cH:21]4)(=[O:26])=[O:27])[s:32]3)[CH2:38][CH2:37]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 21100194HCID 21100194, compoundHCID 211002372-Isopropoxy-5-methylsulfonylbenzoic acid

Product 1

HCID 21100248HCID 21100248, compound

Sources & evidence

ORD record
ord-acda49945c524aac8ba91245df7df6f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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