p-Toluenesulfonic acid → HCID 178426769, compound

HRID 1211535Notes

Reaction equation

HRID 1211535 reaction equation
[CH:47]1([O:52][C:53]([CH:54]([NH2:55])[CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)=[O:63])[CH2:48][CH2:49][CH2:50][CH2:51]1.[NH2:1][c:2]1[c:3]([C:26]([c:27]2[cH:28][c:29]([CH3:34])[c:30]([F:33])[cH:31][cH:32]2)=[O:35])[cH:4][cH:5][c:6](=[O:25])[n:7]1-[c:8]1[c:9]([F:24])[cH:10][c:11]([O:12][CH2:13][CH2:14][CH2:15][O:16][S:17]([CH3:18])(=[O:19])=[O:20])[cH:21][c:22]1[F:23].[OH:36][S:37]([c:38]1[cH:39][cH:40][c:41]([CH3:42])[cH:43][cH:44]1)(=[O:45])=[O:46]>>[NH2:1][c:2]1[c:3]([C:26]([c:27]2[cH:28][c:29]([CH3:34])[c:30]([F:33])[cH:31][cH:32]2)=[O:35])[cH:4][cH:5][c:6](=[O:25])[n:7]1-[c:8]1[c:9]([F:24])[cH:10][c:11]([O:12][CH2:13][CH2:14][CH2:15][NH:55][CH:54]([C:53]([O:52][CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51]2)=[O:63])[CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:21][c:22]1[F:23]

Participants

4

Reactant 3

HCID 6101p-Toluenesulfonic acidHCID 22671095Cyclopentyl 2-amino-3-phenylpropanoateHCID 57658377Methanesulfonic acid 3-{4-[6-amino-5-(4-fluoro-3-methyl-benzoyl)-2-oxo-2H-pyridin-1-yl]-3,5-difluorophenoxy}propyl ester

Product 1

HCID 178426769HCID 178426769, compound

Sources & evidence

ORD record
ord-7c5f15bba807486f984304430b1f8c90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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