Water → HCID 53663468, compound

HRID 315377Notes

Reaction equation

HRID 315377 reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH:8]([CH2:9][C:10](=[O:11])[N:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH3:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)(=[O:4])=[O:5].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45].[c:26]1([C:32]2([OH:38])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH2:6]([CH2:7][CH:8]([CH2:9][C:10](=[O:11])[N:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH3:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[N:35]1[CH2:34][CH2:33][C:32]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([OH:38])[CH2:37][CH2:36]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 963874-Phenylpiperidin-4-olHCID 19029360HCID 19029360, compound

Product 1

HCID 53663468HCID 53663468, compound

Sources & evidence

ORD record
ord-8637def862094c7cbef296f8431a4330
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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