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Water → 1-Methyl-3-[3-(4-methyl-1,3-dioxolan-2-yl)-1,2-benzisothiazol-5-yl]-6-(trifluoromethyl)uracil

HRID 312143
Notes
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Reaction equation

HRID 312143 reaction equation
[CH2:25]([CH:26]([CH3:27])[OH:28])[OH:29].[CH3:1][n:2]1[c:3](=[O:24])[n:4](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([c:18]([CH:21]=[O:22])[n:19][s:20]3)[cH:23]2)[c:5](=[O:12])[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[OH2:53].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[CH3:1][n:2]1[c:3](=[O:24])[n:4](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([c:18]([CH:21]4[O:22][CH2:25][CH:26]([CH3:27])[O:28]4)[n:19][s:20]3)[cH:23]2)[c:5](=[O:12])[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 962WaterHCID 1030Propylene GlycolHCID 1140TolueneHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 178523685-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-1, 2-benzisothiazole-3-carboxaldehyde

Product 1

HCID 20634181
1-Methyl-3-[3-(4-methyl-1,3-dioxolan-2-yl)-1,2-benzisothiazol-5-yl]-6-(trifluoromethyl)uracil

Sources & evidence

ORD record
ord-adf42d4a259b42e4864a1a84a7a3ba12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes