Acetic Acid → (9-(2,4-Difluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

HRID 1572756Notes

Reaction equation

HRID 1572756 reaction equation
[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[CH:21]([CH3:22])([CH3:23])[c:24]1[s:25][cH:26][c:27]([C:29](=[O:30])[N:31]2[CH2:32][CH2:33][O:34][C:35]3([CH2:36]2)[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[n:28]1.[F:14][C:15]([F:16])([F:17])[C:18]([OH:19])=[O:20].[F:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][c:8]([F:13])[c:9]1[CH2:10][CH2:11][OH:12]>>[F:1][c:2]1[c:3]([CH2:4][N:39]2[CH2:38][CH2:37][C:35]3([O:34][CH2:33][CH2:32][N:31]([C:29]([c:27]4[cH:26][s:25][c:24]([CH:21]([CH3:22])[CH3:23])[n:28]4)=[O:30])[CH2:36]3)[CH2:41][CH2:40]2)[cH:6][cH:7][c:8]([F:13])[c:9]1[CH2:10][CH2:11][OH:12]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 579889022,4-Difluoro-3-(2-hydroxyethyl)benzaldehydeHCID 57989152(2-Isopropylthiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 57988951(9-(2,4-Difluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-81c9ab5974a2406c97d3e69c630e1daf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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