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Methanol → (6-Hydroxy-1,1,3-trioxo-4-propan-2-yl-1,2-benzothiazol-2-yl)methyl 2,6-dichlorobenzoate

HRID 102291
Notes
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Reaction equation

HRID 102291 reaction equation
[C:13](=[O:14])([O-:15])[O-:16].[CH3:37][OH:38].[Cl:19][CH2:20][N:21]1[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][c:27]([OH:36])[cH:28][c:29]([CH:33]([CH3:34])[CH3:35])[c:30]2[C:31]1=[O:32].[Cs+:17].[Cs+:18].[Cs:1].[OH2:39].[OH:2][C:3](=[O:4])[c:5]1[c:6]([Cl:7])[cH:8][cH:9][cH:10][c:11]1[Cl:12]>>[O:2]([C:3](=[O:4])[c:5]1[c:6]([Cl:7])[cH:8][cH:9][cH:10][c:11]1[Cl:12])[CH2:20][N:21]1[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][c:27]([OH:36])[cH:28][c:29]([CH:33]([CH3:34])[CH3:35])[c:30]2[C:31]1=[O:32]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 887MethanolHCID 962WaterHCID 57582,6-Dichlorobenzoic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5354618CesiumHCID 102662002-Chloromethyl-4-isopropyl-6-hydroxysaccharin

Product

1
HCID 9803500(6-Hydroxy-1,1,3-trioxo-4-propan-2-yl-1,2-benzothiazol-2-yl)methyl 2,6-dichlorobenzoate

Sources & evidence

ORD record
ord-887a1b8c662646739dedb8449bc71cf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes