Sodium ion → 1-[2-Thienyl]-3-[1-(2-[1,4-benzodioxan-2-yl]-2-hydroxyethyl)piperid-4-yl]urea

HRID 676141Notes

Reaction equation

HRID 676141 reaction equation
[BH4-:58].[Br:44][CH2:45][C:46]([CH:47]1[O:48][c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[O:55][CH2:56]1)=[O:57].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[NH:29]1[CH2:30][CH2:31][CH:32]([NH:33][C:34]([NH:35][c:36]2[s:37][cH:38][cH:39][cH:40]2)=[O:41])[CH2:42][CH2:43]1.[Na+:59].[Na+:73].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH-:72].[s:1]1[c:2]([NH:6][C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][C:17](=[O:18])[CH:19]3[CH2:20][O:21][c:22]4[c:23]([cH:25][cH:26][cH:27][cH:28]4)[O:24]3)[CH2:14][CH2:15]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([NH:6][C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH:17]([OH:18])[CH:19]3[CH2:20][O:21][c:22]4[c:23]([cH:25][cH:26][cH:27][cH:28]4)[O:24]3)[CH2:14][CH2:15]2)[cH:3][cH:4][cH:5]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 961HydroxideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 28123BorohydrideHCID 126085852-Bromo-1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-oneHCID 233290711-(Piperid-4-yl)-3-(2-thienyl)ureaHCID 233290751-[2-Thienyl]-3-[1-(2-[1,4-benzodioxan-2-yl]-2-oxoethyl)piperid-4-yl]urea

Product 1

HCID 233290771-[2-Thienyl]-3-[1-(2-[1,4-benzodioxan-2-yl]-2-hydroxyethyl)piperid-4-yl]urea

Sources & evidence

ORD record
ord-26d9f1ee124848d5bedb8c201171eda3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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