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Bicarbonate Ion → 6,6-Difluoro-5-methyl-5-hexenyl benzo[1,2,5]thiadiazole-5-carboxylate

HRID 1117453
Notes
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Reaction equation

HRID 1117453 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[C:11]([F:12])[F:13])[CH3:14].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[Na+:27].[OH2:37].[OH:28][C:29](=[O:30])[O-:31].[n:15]1[c:16]2[c:17]([n:18][s:19]1)[cH:20][c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]2>>[O:5]([CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[C:11]([F:12])[F:13])[CH3:14])[C:24]([c:21]1[cH:20][c:17]2[c:16]([n:15][s:19][n:18]2)[cH:23][cH:22]1)=[O:25]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 6020112,1,3-Benzothiadiazole-5-carboxylic acidHCID 230203716,6-Difluoro-5-methyl-5-hexenyl methanesulfonate

Product 1

HCID 691809276,6-Difluoro-5-methyl-5-hexenyl benzo[1,2,5]thiadiazole-5-carboxylate

Sources & evidence

ORD record
ord-98520a6ef93a4862913a240258fbdc29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes