Water → 3-[4-(azetidine-1-carbonyl)-2-fluorophenoxy]-5-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide

HRID 148787Notes

Reaction equation

HRID 148787 reaction equation
[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[N:10]1([C:14](=[O:15])[c:16]2[cH:17][c:18]([F:44])[c:19]([O:20][c:21]3[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]([O:30][CH:31]([CH2:32][O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:41])[cH:29]3)[cH:42][cH:43]2)[CH2:11][CH2:12][CH2:13]1.[NH2:69][c:70]1[n:71][c:72]([CH3:75])[n:73][s:74]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:81].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[N:10]1([C:14](=[O:15])[c:16]2[cH:17][c:18]([F:44])[c:19]([O:20][c:21]3[cH:22][c:23]([C:24](=[O:26])[NH:69][c:70]4[n:71][c:72]([CH3:75])[n:73][s:74]4)[cH:27][c:28]([O:30][CH:31]([CH2:32][O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:41])[cH:29]3)[cH:42][cH:43]2)[CH2:11][CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 3506395-Amino-3-methyl-1,2,4-thiadiazoleHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 672735963-[4-(Azetidine-1-carbonyl)-2-fluorophenoxy]-5-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]benzoic acid

Product 1

HCID 691934433-[4-(azetidine-1-carbonyl)-2-fluorophenoxy]-5-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide

Sources & evidence

ORD record
ord-fce5cb3ca6e347b3bc129297e657b107
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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