Hydrochloric Acid → HCID 178432098, compound

HRID 148499Notes

Reaction equation

HRID 148499 reaction equation
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][CH:46]([CH3:47])[C:48]([OH:49])=[O:50].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[ClH:1].[ClH:2].[O:3]1[CH2:4][O:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]1([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1)[cH:11]2.[OH2:80].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[O:3]1[CH2:4][O:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]1([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][N:15]([C:48]([CH:46]([CH3:45])[CH3:47])=[O:49])[CH2:16][CH2:17]1)[cH:11]2

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 6590Isobutyric AcidHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 686770721-[8-[2-[4-(1,3-Benzodioxol-5-yl)piperidin-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylbenzimidazole

Product 1

HCID 178432098HCID 178432098, compound

Sources & evidence

ORD record
ord-1d235d600b184610a104b03e7bb619d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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