Hydrochloric Acid → HCID 68156838, compound

HRID 1569477Notes

Reaction equation

HRID 1569477 reaction equation
[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[CH3:74][OH:75].[CH:1]1([CH2:4][CH:5]([O:6][c:7]2[cH:8][cH:9][c:10](-[n:13]3[n:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]3)[cH:11][cH:12]2)[c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]2)[CH2:2][CH2:3]1.[ClH:35].[Li+:34].[NH2:67][CH2:68][CH2:69][C:70](=[O:71])[O:72][CH3:73].[OH-:33].[OH2:32].[OH2:76].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH:1]1([CH2:4][CH:5]([O:6][c:7]2[cH:8][cH:9][c:10](-[n:13]3[n:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]3)[cH:11][cH:12]2)[c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:67][CH2:68][CH2:69][C:70](=[O:71])[O:72][CH3:73])[cH:30][cH:31]2)[CH2:2][CH2:3]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 192794Methyl beta-alanateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68178606HCID 68178606, compound

Product 1

HCID 68156838HCID 68156838, compound

Sources & evidence

ORD record
ord-ca77202314f448e98a5dcf9711d2279f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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