2-Mercaptobenzoic Acid → HCID 68691641, compound

HRID 190230Notes

Reaction equation

HRID 190230 reaction equation
[Cl:11][c:12]1[cH:13][cH:14][c:15]([S:16][c:19]2[c:20]([CH3:37])[n:21]([CH2:33][C:34](=[O:35])[OH:36])[c:22]3[cH:23][cH:24][cH:25][c:26]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[c:27]23)[cH:17][cH:18]1.[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44].[OH:1][C:2]([c:3]1[c:4]([SH:5])[cH:6][cH:7][cH:8][cH:9]1)=[O:10]>>[cH:19]1[c:20]([CH3:37])[n:21]([CH2:33][C:34](=[O:35])[OH:36])[c:22]2[cH:23][cH:24][cH:25][c:26]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[c:27]12

Participants

4

Reactant 3

HCID 54432-Mercaptobenzoic AcidHCID 6422Trifluoroacetic acidHCID 11154496HCID 11154496, compound

Product 1

HCID 68691641HCID 68691641, compound

Sources & evidence

ORD record
ord-e22d26aa3a3246f9a95eea1f5610696c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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