Hydrochloric Acid → HCID 178495435, compound

HRID 164802Notes

Reaction equation

HRID 164802 reaction equation
[CH3:35][NH:36][CH3:37].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[ClH:34].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[O:11][c:12]1[cH:13][c:14]([O:28][CH:29]([CH2:30][O:31][CH3:32])[CH3:33])[cH:15][c:16](-[c:18]2[nH:19][c:20](-[c:23]3[s:24][cH:25][cH:26][n:27]3)[cH:21][cH:22]2)[cH:17]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[N:36]([CH3:35])[CH3:37])[cH:8][cH:9][c:10]1[O:11][c:12]1[cH:13][c:14]([O:28][CH:29]([CH2:30][O:31][CH3:32])[CH3:33])[cH:15][c:16](-[c:18]2[nH:19][c:20](-[c:23]3[s:24][cH:25][cH:26][n:27]3)[cH:21][cH:22]2)[cH:17]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178495436HCID 178495436, compound

Product 1

HCID 178495435HCID 178495435, compound

Sources & evidence

ORD record
ord-158135faa7214a9baeca9098c1e61977
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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