Hydrochloric Acid → HCID 178526247, compound

HRID 141778Notes

Reaction equation

HRID 141778 reaction equation
[CH2:21]([N+:22]([CH2:23][CH2:24][CH2:25][CH3:26])([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:1][c:2]1[c:3]([N:9]=[C:10]2[N:11]([OH:15])[CH2:12][CH2:13][NH:14]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[Cl:56][CH2:57][c:58]1[n+:59]([O-:64])[cH:60][cH:61][cH:62][cH:63]1.[ClH:55].[Na+:66].[OH-:65].[S:16]([O-:17])([O-:18])(=[O:19])=[O:20]>>[Cl:1][c:2]1[c:3]([N:9]=[C:10]2[N:11]([O:15][CH2:57][c:58]3[n+:59]([O-:64])[cH:60][cH:61][cH:62][cH:63]3)[CH2:12][CH2:13][NH:14]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 1117Sulfate IonHCID 1140TolueneHCID 16028Tetrabutylammonium2×HCID 2655032-(Chloromethyl)pyridine 1-oxideHCID 178526276HCID 178526276, compound

Product 1

HCID 178526247HCID 178526247, compound

Sources & evidence

ORD record
ord-e78dc1c9788646e9b6d8de116389b220
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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