Toluene → HCID 135063129, compound

HRID 1230438Notes

Reaction equation

HRID 1230438 reaction equation
[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[F:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]([CH2:13][n:14]2[cH:15][c:16]([CH2:23][C:24](=[O:25])[O:26][CH3:27])[c:17]3[c:18]2[n:19][cH:20][cH:21][cH:22]3)[CH2:28][CH:29]=[O:30])[cH:6][cH:7]1.[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([O-:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[nH+:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH2:13][n:14]3[c:15]([c:16]([CH2:23][C:24](=[O:25])[O:26][CH3:27])[c:17]4[c:18]3[n:19][cH:20][cH:21][cH:22]4)[CH:29]=[CH:28]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 135072599Methyl 2-[1-[2-[(4-fluorophenyl)sulfonylamino]-4-oxobutyl]pyrrolo[2,3-b]pyridin-3-yl]acetate

Product 1

HCID 135063129HCID 135063129, compound

Sources & evidence

ORD record
ord-58cfeaf9a8cf4de499df26aefcf6f150
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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