Acetic Acid → (9-(3-(2-(tert-Butyldimethylsilyloxy)ethyl)-2-fluorobenzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

HRID 145901

Reaction equation

HRID 145901 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][c:9]1[c:10]([F:17])[c:11]([CH:12]=[O:13])[cH:14][cH:15][cH:16]1)([CH3:18])[CH3:19].[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[C:62](=[O:63])([OH:64])[O-:65].[CH3:67][N:68]1[CH2:69][CH2:70][CH2:71][C:72]1=[O:73].[CH3:74][C:75](=[O:76])[OH:77].[CH:27]([CH3:28])([CH3:29])[c:30]1[s:31][cH:32][c:33]([C:35](=[O:36])[N:37]2[CH2:38][CH2:39][O:40][C:41]3([CH2:42]2)[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]3)[n:34]1.[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[Na+:61].[Na+:66].[OH2:78]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][c:9]1[c:10]([F:17])[c:11]([CH2:12][N:45]2[CH2:44][CH2:43][C:41]3([O:40][CH2:39][CH2:38][N:37]([C:35]([c:33]4[cH:32][s:31][c:30]([CH:27]([CH3:28])[CH3:29])[n:34]4)=[O:36])[CH2:42]3)[CH2:47][CH2:46]2)[cH:14][cH:15][cH:16]1)([CH3:18])[CH3:19]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 57989152(2-Isopropylthiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanoneHCID 579891643-(2-(tert-Butyldimethylsilyloxy)ethyl)-2-fluorobenzaldehyde

Product 1

HCID 58168600(9-(3-(2-(tert-Butyldimethylsilyloxy)ethyl)-2-fluorobenzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-96b777d14e0b4a15b0bdcad15b91dadf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…