O-Xylene → HCID 54695922, compound

HRID 666096Notes

Reaction equation

HRID 666096 reaction equation
[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:10]([OH:11])[c:9]2[c:8]([c:19]3[c:14]([cH:13][cH:12]2)[cH:15][cH:16][cH:17][cH:18]3)[S:7](=[O:20])(=[O:21])[N:6]1[CH3:22].[NH2:23][c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1.[c:31]1([CH3:32])[c:33]([CH3:34])[cH:35][cH:36][cH:37][cH:38]1>>[C:3](=[O:4])([C:5]1=[C:10]([OH:11])[c:9]2[c:8]([c:19]3[c:14]([cH:13][cH:12]2)[cH:15][cH:16][cH:17][cH:18]3)[S:7](=[O:20])(=[O:21])[N:6]1[CH3:22])[NH:23][c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1

Participants

4

Reactant 3

HCID 7237O-XyleneHCID 97314-FluoroanilineHCID 546906514-hydroxy-2-methyl-2H-naphtho[2,1-e]-1,2-thiazine-3-carboxylic acid methylester-1,1-dioxide

Product 1

HCID 54695922HCID 54695922, compound

Sources & evidence

ORD record
ord-9012915068bb47f4a2551a121c4b0084
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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