Hydrochloric Acid → US10117858, Example 4

HRID 166949Notes

Reaction equation

HRID 166949 reaction equation
[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:17].[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.[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

9

Reactant 8

HCID 313Hydrochloric AcidHCID 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-62b596324eed416d9872b84a6192a79a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…