Ammonium → HCID 21092866, compound

HRID 2318237Notes

Reaction equation

HRID 2318237 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][C:13](=[O:14])[OH:15])[cH:9][cH:10]1)[CH:16]1[CH2:17][CH:18]([CH3:36])[N:19]([C:26]([c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)=[O:35])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]21.[C:37]([N:40]([CH:38]1[c:39]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[N:46]([C:47](=[O:48])[c:49]2[cH:50][cH:51][c:52]([O:53][CH3:54])[cH:55][cH:56]2)[CH:57]([CH3:58])[CH2:59]1)[c:60]1[cH:61][cH:62][c:63]([CH2:64][CH2:65][C:66]([OH:67])=[O:68])[cH:69][cH:70]1)(=[O:71])[CH3:72].[CH3:118][N:119]([CH3:120])[CH:121]=[O:122].[CH:109]([N:110]([CH2:111][CH3:112])[CH:113]([CH3:114])[CH3:115])([CH3:116])[CH3:117].[Cl-:107].[NH4+:108].[OH:97][n:98]1[c:99]2[c:100]([cH:101][cH:102][cH:103][cH:104]2)[n:105][n:106]1.[P-:73]([F:74])([F:75])([F:76])([F:77])([F:78])[F:79].[n:80]1([O:81][C:82]([N:83]([CH3:84])[CH3:85])=[N+:86]([CH3:87])[CH3:88])[c:89]2[n:90][cH:91][cH:92][cH:93][c:94]2[n:95][n:96]1>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][C:13](=[O:14])[NH2:40])[cH:9][cH:10]1)[CH:16]1[CH2:17][CH:18]([CH3:36])[N:19]([C:26]([c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)=[O:35])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]21

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21092867HCID 21092867, compound2×

Product 1

HCID 21092866HCID 21092866, compound

Sources & evidence

ORD record
ord-7a8c047bc1de47f6a2c33ac5946bb1f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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