Hydrochloric Acid → HCID 68157415, compound

HRID 174722Notes

Reaction equation

HRID 174722 reaction equation
[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[ClH:15].[NH2:16][CH2:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23].[OH:1][CH:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[OH:1][CH:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:10](=[O:12])[NH:16][CH2:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 419889Ethyl 3-aminopropanoateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14850669HCID 14850669, compound

Product 1

HCID 68157415HCID 68157415, compound

Sources & evidence

ORD record
ord-79644fe5d4744763aabb0e87ad144714
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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