Sodium ion → HCID 66636096, compound

HRID 175892Notes

Reaction equation

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

Participants

Reactant 9

HCID 923Sodium ion

HCID 961Hydroxide

HCID 6228Dimethylformamide

HCID 6344Dichloromethane

HCID 8083Morpholine

HCID 9886Hexafluorophosphate

HCID 81531Diisopropylethylamine

HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

HCID 54027374HCID 54027374, compound

Product 1

HCID 66636096HCID 66636096, compound

Sources & evidence

ORD record: ord-c5ba309fd5ed4d67bfaa28346c37c206
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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