Hydrochloric Acid → HCID 66832046, compound

HRID 1219236Notes

Reaction equation

HRID 1219236 reaction equation
[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cl:12][c:13]1[cH:14][c:15]2[c:16]([CH2:22][CH2:23][NH2:24])[cH:17][nH:18][c:19]2[cH:20][cH:21]1.[ClH:11].[Na+:55].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH-:54].[OH2:56].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[o:1]1[cH:2][n:3][cH:4][c:5]1[C:6]([O:8][CH2:7][CH3:9])=[O:10]>>[o:1]1[cH:2][n:3][cH:4][c:5]1[C:6](=[O:8])[NH:24][CH2:23][CH2:22][c:16]1[c:15]2[cH:14][c:13]([Cl:12])[cH:21][cH:20][c:19]2[nH:18][cH:17]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 773795-ChlorotryptamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 10964603Ethyl 1,3-oxazole-5-carboxylate

Product 1

HCID 66832046HCID 66832046, compound

Sources & evidence

ORD record
ord-def6522b0dc54a53b0f1ba6595ac1d6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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