Ammonium → HCID 178456677, compound

HRID 194609Notes

Reaction equation

HRID 194609 reaction equation
[CH3:38][N+:39]([CH3:40])=[C:41]([N:42]([CH3:43])[CH3:44])[O:45][n:46]1[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1.[CH3:66][N:67]([CH3:68])[C:69](=[O:70])[CH3:71].[CH3:72][S:73]([CH3:74])=[O:75].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:30]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([N:22]2[CH:23]([C:27](=[O:28])[OH:29])[CH2:24][CH2:25][CH2:26]2)[cH:21]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl-:64].[F:31][P-:32]([F:33])([F:34])([F:35])([F:36])[F:37].[NH4+:65]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:30]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([N:22]2[CH:23]([C:27](=[O:28])[NH2:39])[CH2:24][CH2:25][CH2:26]2)[cH:21]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 9886HexafluorophosphateHCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 767020421-[2-(2-Propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxylic acid

Product 1

HCID 178456677HCID 178456677, compound

Sources & evidence

ORD record
ord-52ba71b6416f4963990de0b878a9b226
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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