Hydrochloric Acid → (2,4-Bis-benzyloxy-5-isopropenyl-phenyl)-[5-(4-hydroxy-1-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone

HRID 191007Notes

Reaction equation

HRID 191007 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([C:26](=[CH2:27])[CH3:28])[c:16]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:17]1.[CH2:41]1[NH:42][CH2:43][c:44]2[cH:45][c:46]([C:50]3([OH:57])[CH2:51][CH2:52][N:53]([CH3:56])[CH2:54][CH2:55]3)[cH:47][cH:48][c:49]21.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[ClH:39].[ClH:40].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[N:42]2[CH2:41][c:49]3[c:44]([cH:45][c:46]([C:50]4([OH:57])[CH2:51][CH2:52][N:53]([CH3:56])[CH2:54][CH2:55]4)[cH:47][cH:48]3)[CH2:43]2)[cH:14][c:15]([C:26](=[CH2:27])[CH3:28])[c:16]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:17]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 119558674-(2,3-Dihydro-1H-isoindol-5-yl)-1-methyl-4-piperidinolHCID 498640162,4-Bis(benzyloxy)-5-isopropenylbenzoic acid

Product 1

HCID 46915491(2,4-Bis-benzyloxy-5-isopropenyl-phenyl)-[5-(4-hydroxy-1-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone

Sources & evidence

ORD record
ord-379c0c8f5d674a8c8f8e03ed9bef1027
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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