Hydrochloric Acid → HCID 178490354, compound

HRID 672281Notes

Reaction equation

HRID 672281 reaction equation
[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([CH:25]([CH3:26])[NH2:27])[n:23][cH:24]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:16].[N:1]1([c:6]2[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[OH:15])[cH:10][cH:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[N:1]1([c:6]2[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:15])[NH:27][CH:25]([c:22]3[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][n:23]3)[CH3:26])[cH:10][cH:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 141545872-[4-(Pyrrolidin-1-yl)phenyl]acetic acidHCID 586290811-(5-Methoxypyridin-2-yl)ethan-1-amine

Product 1

HCID 178490354HCID 178490354, compound

Sources & evidence

ORD record
ord-1ebddf57d1c04b348deebd9ebd098e92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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