Hydrochloric Acid → HCID 66832094, compound

HRID 1135868Notes

Reaction equation

HRID 1135868 reaction equation
[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:1][c:2]1[c:3]([CH2:13][c:14]2[n:15][c:16]([C:19]([O:21][CH2:20][CH3:22])=[O:23])[n:17][o:18]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[Cl:25][c:26]1[cH:27][c:28]2[c:29]([CH2:35][CH2:36][NH2:37])[cH:30][nH:31][c:32]2[cH:33][cH:34]1.[ClH:24].[Na+:68].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH-:67].[OH2:69].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH3:1][c:2]1[c:3]([CH2:13][c:14]2[n:15][c:16]([C:19](=[O:21])[NH:37][CH2:36][CH2:35][c:29]3[c:28]4[cH:27][c:26]([Cl:25])[cH:34][cH:33][c:32]4[nH:31][cH:30]3)[n:17][o:18]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 773795-ChlorotryptamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66832125HCID 66832125, compound

Product 1

HCID 66832094HCID 66832094, compound

Sources & evidence

ORD record
ord-8b80c3830e5147d68e084b6da9d698bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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