Water → N-Butyl-N-(2,2-dimethoxyethyl)-3-(3-(2-(4-(2-isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl)phenethoxy)propanamide

HRID 190775Notes

Reaction equation

HRID 190775 reaction equation
[CH3:47][O:48][CH:49]([CH2:50][NH:51][CH2:52][CH2:53][CH2:54][CH3:55])[O:56][CH3:57].[CH:1]([CH3:2])([CH3:3])[c:4]1[s:5][cH:6][c:7]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][O:14][C:15]3([CH2:16]2)[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][c:24]2[cH:25][c:26]([CH2:27][CH2:28][O:29][CH2:30][CH2:31][C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]2)[CH2:20][CH2:21]3)[n:8]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:82][CH2:83][Cl:84].[OH2:85].[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[n:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[s:5][cH:6][c:7]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][O:14][C:15]3([CH2:16]2)[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][c:24]2[cH:25][c:26]([CH2:27][CH2:28][O:29][CH2:30][CH2:31][C:32](=[O:33])[N:51]([CH2:50][CH:49]([O:48][CH3:47])[O:56][CH3:57])[CH2:52][CH2:53][CH2:54][CH3:55])[cH:35][cH:36][cH:37]2)[CH2:20][CH2:21]3)[n:8]1

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21254099N-(2,2-dimethoxyethyl)butan-1-amineHCID 581684843-(3-(2-(4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl)phenethoxy)propanoic acid

Product 1

HCID 58168512N-Butyl-N-(2,2-dimethoxyethyl)-3-(3-(2-(4-(2-isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl)phenethoxy)propanamide

Sources & evidence

ORD record
ord-f55e10e70ec64ce1a17e79c81b96f349
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…