Hydrochloric Acid → HCID 66783603, compound

HRID 670940Notes

Reaction equation

HRID 670940 reaction equation
[CH3:36][NH:37][CH3:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[ClH:35].[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([CH2:10][CH2:11][CH:12]([C:13](=[O:14])[OH:15])[N:16]2[C:17](=[O:34])[CH:18]([CH3:33])[N:19]([c:22]3[cH:23][c:24]([O:28][C:29]([F:30])([F:31])[F:32])[cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]2)[CH2:9]1.[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([CH2:10][CH2:11][CH:12]([C:13](=[O:15])[N:37]([CH3:36])[CH3:38])[N:16]2[C:17](=[O:34])[CH:18]([CH3:33])[N:19]([c:22]3[cH:23][c:24]([O:28][C:29]([F:30])([F:31])[F:32])[cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]2)[CH2:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66783611HCID 66783611, compound

Product 1

HCID 66783603HCID 66783603, compound

Sources & evidence

ORD record
ord-35d8b95c4ffc464fb84e84cb390cd6e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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