Acetic Acid → (9-(2-(4-(2-Hydroxyethyl)phenoxy)ethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-methylthiazol-4-yl)methanone

HRID 2140243Notes

Reaction equation

HRID 2140243 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:2][c:3]1[s:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][C:14]3([CH2:15]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[n:7]1.[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH3:55][C:56](=[O:57])[OH:58].[CH3:59][OH:60].[ClH:1].[Na+:47].[OH:21][CH2:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([O:28][CH2:29][CH:30]=[O:31])[cH:32][cH:33]1>>[CH3:2][c:3]1[s:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][C:14]3([CH2:15]2)[CH2:16][CH2:17][N:18]([CH2:30][CH2:29][O:28][c:27]2[cH:26][cH:25][c:24]([CH2:23][CH2:22][OH:21])[cH:33][cH:32]2)[CH2:19][CH2:20]3)[n:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 545162782-(4-(2-Hydroxyethyl)phenoxy)acetaldehydeHCID 57989231(2-Methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 57988908(9-(2-(4-(2-Hydroxyethyl)phenoxy)ethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-methylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-ea66d444e4b145a8b37bfdcafebc2a1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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