Water → 1-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-3-[3-(pyridin-2-yloxy)-phenyl]-urea

HRID 119925Notes

Reaction equation

HRID 119925 reaction equation
[C:26](=[O:27])([n:28]1[cH:29][cH:30][n:31][cH:32]1)[n:33]1[cH:34][cH:35][n:36][cH:37]1.[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[NH2:6][CH2:7][c:8]1[cH:9][c:10]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[N:12]([CH:18]1[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]1)[CH2:11]2.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:52].[n:38]1[c:39]([O:44][c:45]2[cH:46][c:47]([NH2:51])[cH:48][cH:49][cH:50]2)[cH:40][cH:41][cH:42][cH:43]1>>[NH:6]([CH2:7][c:8]1[cH:9][c:10]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[N:12]([CH:18]1[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]1)[CH2:11]2)[C:26](=[O:27])[NH:51][c:47]1[cH:46][c:45]([O:44][c:39]2[n:38][cH:43][cH:42][cH:41][cH:40]2)[cH:50][cH:49][cH:48]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 682631,1'-CarbonyldiimidazoleHCID 131505733-[(Pyridin-2-yl)oxy]anilineHCID 594432803-(5-(Aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione

Product 1

HCID 461983791-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-3-[3-(pyridin-2-yloxy)-phenyl]-urea

Sources & evidence

ORD record
ord-b40de0751db64e139d085b56ac42a704
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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