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

HRID 181653Notes

Reaction equation

HRID 181653 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[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.[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[CH3:54][C:55](=[O:56])[OH:57].[CH3:58][OH:59].[ClH:1].[Na+:46].[OH:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([O:27][CH2:28][CH:29]=[O:30])[cH:31][cH:32]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]([CH2:29][CH2:28][O:27][c:26]2[cH:25][cH:24][c:23]([CH2:22][OH:21])[cH:32][cH:31]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 544756782-(4-(Hydroxymethyl)phenoxy)acetaldehydeHCID 57989231(2-Methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 46240301(9-(2-(4-(Hydroxymethyl)phenoxy)ethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-methylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-1e84925a679f4eec92f45da0c521b0cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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