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Water → HCID 86753306, compound

HRID 211446
Notes
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Reaction equation

HRID 211446 reaction equation
[CH3:18][CH:19]([C:20]([CH3:21])=[O:22])[CH3:23].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([NH2:14])[CH3:15])[n:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:16])[F:17].[OH2:35].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([N:14]=[C:20]([CH:19]([CH3:18])[CH3:23])[CH3:21])[CH3:15])[n:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:16])[F:17]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 112513-Methyl-2-butanoneHCID 18940147HCID 18940147, compound

Product 1

HCID 86753306HCID 86753306, compound

Sources & evidence

ORD record
ord-c702cdc3015c4b0f9926706b6be7981e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes