Hydrochloric Acid → HCID 178473550, compound

HRID 159916Notes

Reaction equation

HRID 159916 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[ClH:56].[F:1][c:2]1[c:3]2[n:4]([c:5]([NH:11][c:12]3[c:13]([F:19])[cH:14][c:15]([I:18])[cH:16][cH:17]3)[c:6]([C:8](=[O:9])[OH:10])[cH:7]1)[cH:20][n:21][cH:22]2.[OH:57][CH:58]([CH2:59][O:60][NH-:61])[CH3:62].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[F:1][c:2]1[c:3]2[n:4]([c:5]([NH:11][c:12]3[c:13]([F:19])[cH:14][c:15]([I:18])[cH:16][cH:17]3)[c:6]([C:8](=[O:9])[NH:61][O:60][CH2:59][CH:58]([OH:57])[CH3:62])[cH:7]1)[cH:20][n:21][cH:22]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59140183HCID 59140183, compoundHCID 178473563HCID 178473563, compound

Product 1

HCID 178473550HCID 178473550, compound

Sources & evidence

ORD record
ord-7c37d2bc5e174e0082370e1aebeef36f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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