Acetic Acid → (9-((4-(2-(tert-Butyldimethylsilyloxy)ethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-2-yl)methanone

HRID 100446Notes

Reaction equation

HRID 100446 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[Si:31]([O:32][CH2:33][CH2:34][c:35]1[cH:36][c:37]([CH:40]=[O:41])[s:38][cH:39]1)([CH3:42])[CH3:43].[C:44]([Si:45]([CH3:46])([CH3:47])[O:48][CH2:49][CH2:50][c:51]1[cH:52][cH:53][s:54][c:55]1[CH:56]=[O:57])([CH3:58])([CH3:59])[CH3:60].[C:61]([O:62][BH-:63]([O:64][C:65](=[O:66])[CH3:67])[O:68][C:69](=[O:70])[CH3:71])(=[O:72])[CH3:73].[C:83]([OH:84])(=[O:85])[CH3:86].[CH3:75][N:76]1[CH2:77][CH2:78][CH2:79][C:80]1=[O:81].[CH3:8][c:9]1[cH:10][cH:11][c:12]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][C:20]3([CH2:21]2)[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[s:13]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:74].[OH2:82]>>[CH3:8][c:9]1[cH:10][cH:11][c:12]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][C:20]3([CH2:21]2)[CH2:22][CH2:23][N:24]([CH2:40][c:37]2[cH:36][c:35]([CH2:34][CH2:33][O:32][Si:31]([C:27]([CH3:28])([CH3:29])[CH3:30])([CH3:42])[CH3:43])[cH:39][s:38]2)[CH2:25][CH2:26]3)[s:13]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 579889073-(2-(Tert-butyldimethylsilyloxy)ethyl)thiophene-2-carbaldehydeHCID 579891104-(2-(Tert-butyldimethylsilyloxy)ethyl)thiophene-2-carbaldehydeHCID 57989275(5-Methylthiophen-2-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 57989318(9-((4-(2-(tert-Butyldimethylsilyloxy)ethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-2-yl)methanone

Sources & evidence

ORD record
ord-9a51e014b26c4c1c9d17c69531a9600b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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