Water → (9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-(pentan-3-yl)thiazol-4-yl)methanone

HRID 1148935

Reaction equation

HRID 1148935 reaction equation
[CH3:47][CH2:48][CH:49]([CH2:50][CH3:51])[c:52]1[s:53][cH:54][c:55]([C:57](=[O:58])[OH:59])[n:56]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[O:25]1[CH2:26][CH2:27][NH:28][CH2:29][C:30]12[CH2:31][CH2:32][N:33]([CH2:36][c:37]1[c:38]([F:46])[c:39]([CH2:43][CH2:44][OH:45])[cH:40][cH:41][cH:42]1)[CH2:34][CH2:35]2.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[O:25]1[CH2:26][CH2:27][N:28]([C:57]([c:55]2[cH:54][s:53][c:52]([CH:49]([CH2:48][CH3:47])[CH2:50][CH3:51])[n:56]2)=[O:58])[CH2:29][C:30]12[CH2:31][CH2:32][N:33]([CH2:36][c:37]1[c:38]([F:46])[c:39]([CH2:43][CH2:44][OH:45])[cH:40][cH:41][cH:42]1)[CH2:34][CH2:35]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579605932-(Pentan-3-yl)thiazole-4-carboxylic acidHCID 579891872-(3-(1-Oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-2-fluorophenyl)ethanol

Product 1

HCID 57989379(9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-(pentan-3-yl)thiazol-4-yl)methanone

Sources & evidence

ORD record
ord-38124bd8251a471ca92f71449bd8d3b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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