Water → HCID 72398956, compound

HRID 2129480Notes

Reaction equation

HRID 2129480 reaction equation
[C:45]([CH3:46])([CH3:47])([CH3:48])[O:49][C:50](=[O:51])[N:52]1[CH2:53][CH:54]([NH2:58])[CH2:55][CH2:56][CH2:57]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[NH2:1][c:2]1[c:3]([C:9](=[O:10])[OH:11])[n:4][c:5]([Br:8])[cH:6][n:7]1.[OH2:59].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[NH2:1][c:2]1[c:3]([C:9](=[O:11])[NH:58][CH:54]2[CH2:53][N:52]([C:50]([O:49][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:51])[CH2:57][CH2:56][CH2:55]2)[n:4][c:5]([Br:8])[cH:6][n:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5458091-BOC-3-AminopiperidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 185216003-Amino-6-bromopyrazine-2-carboxylic acid

Product 1

HCID 72398956HCID 72398956, compound

Sources & evidence

ORD record
ord-5cd2b6df3dc1417d9434ac2aa4024343
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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