Hydrochloric Acid → HCID 178464731, compound

HRID 2151265Notes

Reaction equation

HRID 2151265 reaction equation
[CH3:51][N+:52]([CH3:53])=[C:54]([N:55]([CH3:56])[CH3:57])[O:58][n:59]1[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1.[CH3:68][N:69]1[CH2:70][CH2:71][CH2:72][C:73]1=[O:74].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[ClH:1].[ClH:2].[F:15][C:16]([C:17]([CH3:18])([CH3:19])[c:20]1[n:21][c:22]2[c:27]([cH:28][cH:29]1)[CH2:26][CH:25]([C:30](=[O:31])[OH:32])[CH2:24][CH2:23]2)([F:33])[F:34].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:3]1[cH:4][c:5]([CH:12]([CH3:13])[NH2:14])[c:6]2[n:11]1[CH2:10][CH2:9][CH2:8][O:7]2>>[n:3]1[cH:4][c:5]([CH:12]([CH3:13])[NH:14][C:30]([CH:25]2[CH2:24][CH2:23][c:22]3[n:21][c:20]([C:17]([C:16]([F:15])([F:33])[F:34])([CH3:18])[CH3:19])[cH:29][cH:28][c:27]3[CH2:26]2)=[O:31])[c:6]2[n:11]1[CH2:10][CH2:9][CH2:8][O:7]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 581186242-(1,1,1-Trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acidHCID 77202885HCID 77202885, compound

Product 1

HCID 178464731HCID 178464731, compound

Sources & evidence

ORD record
ord-c280571bfbca473d836ed372cdd8bd05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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