Ammonia → HCID 20774261, compound

HRID 1149560Notes

Reaction equation

HRID 1149560 reaction equation
[CH3:87][OH:88].[CH:48]([N:51]([CH2:49][CH3:50])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH3:81].[O:1]1[CH2:2][CH:3]([O:9][C:10](=[O:11])[NH:12][CH:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25])[cH:26][cH:27]2)[CH:28]([CH2:29][N:30]([CH2:31][CH:32]([CH3:33])[CH3:34])[S:35](=[O:36])(=[O:37])[c:38]2[cH:39][c:40]3[c:41]([cH:45][cH:46]2)[O:42][CH2:43][O:44]3)[OH:47])[CH:4]2[CH:5]1[O:6][CH2:7][CH2:8]2.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[O:1]1[CH2:2][CH:3]([O:9][C:10](=[O:11])[NH:12][CH:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[NH2:51])[cH:26][cH:27]2)[CH:28]([CH2:29][N:30]([CH2:31][CH:32]([CH3:33])[CH3:34])[S:35](=[O:36])(=[O:37])[c:38]2[cH:39][c:40]3[c:41]([cH:45][cH:46]2)[O:42][CH2:43][O:44]3)[OH:47])[CH:4]2[CH:5]1[O:6][CH2:7][CH2:8]2

Participants

8

Reactant 7

HCID 222AmmoniaHCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22499843HCID 22499843, compound

Product 1

HCID 20774261HCID 20774261, compound

Sources & evidence

ORD record
ord-a3ab7af400754604bf11096925134928
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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