Hydrochloric Acid → US10117858, Example 4

HRID 1132049Notes

Reaction equation

HRID 1132049 reaction equation
[CH3:61][N:62]1[CH2:63][CH2:64][CH2:65][C:66]1=[O:67].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:17].[ClH:60].[NH2:18][CH2:19][C:20]([C:21]([F:22])([F:23])[F:24])([OH:25])[CH3:26].[NH2:1][c:2]1[c:3]([C:14](=[O:15])[OH:16])[n:4][c:5]([O:12][CH3:13])[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[OH2:74].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[NH2:1][c:2]1[c:3]([C:14](=[O:16])[NH:18][CH2:19][C:20]([C:21]([F:22])([F:23])[F:24])([OH:25])[CH3:26])[n:4][c:5]([O:12][CH3:13])[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 136207593-Amino-1,1,1-trifluoro-2-methylpropan-2-olHCID 584423203-Amino-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid

Product 1

HCID 53472387US10117858, Example 4

Sources & evidence

ORD record
ord-1ecbc643259f46568dc9213594f106b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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