Glycolic Acid → N-[2-({4-[4-(3-{[(2,5-Difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)ethyl]-2-hydroxyacetamide

HRID 1126799Notes

Reaction equation

HRID 1126799 reaction equation
[CH3:82][CH2:83][O:84][C:85]([CH3:86])=[O:87].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[NH2:39][CH2:40][CH2:41][NH:42][c:43]1[n:44][cH:45][cH:46][c:47](-[c:49]2[c:50](-[c:58]3[c:59]([F:76])[c:60]([NH:64][S:65](=[O:66])(=[O:67])[c:68]4[c:69]([F:75])[cH:70][cH:71][c:72]([F:74])[cH:73]4)[cH:61][cH:62][cH:63]3)[n:51][c:52]([C:54]([CH3:55])([CH3:56])[CH3:57])[s:53]2)[n:48]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:1][CH2:2][C:3]([OH:4])=[O:5].[P-:6]([F:7])([F:8])([F:9])([F:10])([F:11])[F:12].[n:13]1([O:14][C:15]([N:16]([CH3:17])[CH3:18])=[N+:19]([CH3:20])[CH3:21])[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[OH:1][CH2:2][C:3](=[O:5])[NH:39][CH2:40][CH2:41][NH:42][c:43]1[n:44][cH:45][cH:46][c:47](-[c:49]2[c:50](-[c:58]3[c:59]([F:76])[c:60]([NH:64][S:65](=[O:66])(=[O:67])[c:68]4[c:69]([F:75])[cH:70][cH:71][c:72]([F:74])[cH:73]4)[cH:61][cH:62][cH:63]3)[n:51][c:52]([C:54]([CH3:55])([CH3:56])[CH3:57])[s:53]2)[n:48]1

Participants

8

Reactant 7

HCID 757Glycolic AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57989685N-{3-[5-{2-[(2-Aminoethyl)amino]-4-pyrimidinyl}-2-(1,1-dimethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,5-difluorobenzenesulfonamide

Product 1

HCID 57989673N-[2-({4-[4-(3-{[(2,5-Difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)ethyl]-2-hydroxyacetamide

Sources & evidence

ORD record
ord-18acd8293d05430798a5e45c8c5ddfc0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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