Sodium ion → 4-(3-chlorophenyl)-alpha-(4-chlorophenyl)-2-methoxy-alpha-(4-methyl-4H-1,2,4-triazol-3-yl)-6-quinolinemethanol

HRID 1231008Notes

Reaction equation

HRID 1231008 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[Cl:9][c:10]1[cH:11][c:12](-[c:16]2[cH:17][c:18]([O:42][CH3:43])[n:19][c:20]3[cH:21][cH:22][c:23]([C:26]([OH:27])([c:28]4[n:29][n:30][c:31]([SH:34])[n:32]4[CH3:33])[c:35]4[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]4)[cH:24][c:25]23)[cH:13][cH:14][cH:15]1.[N:1]([O-:2])=[O:3].[Na+:4].[OH2:44].[OH:5][N+:6](=[O:7])[O-:8]>>[Cl:9][c:10]1[cH:11][c:12](-[c:16]2[cH:17][c:18]([O:42][CH3:43])[n:19][c:20]3[cH:21][cH:22][c:23]([C:26]([OH:27])([c:28]4[n:29][n:30][cH:31][n:32]4[CH3:33])[c:35]4[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]4)[cH:24][c:25]23)[cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 944Nitric AcidHCID 946NitriteHCID 962WaterHCID 8028TetrahydrofuranHCID 178487442HCID 178487442, compound

Product 1

HCID 210820484-(3-chlorophenyl)-alpha-(4-chlorophenyl)-2-methoxy-alpha-(4-methyl-4H-1,2,4-triazol-3-yl)-6-quinolinemethanol

Sources & evidence

ORD record
ord-eee9c044eea4448f8facd67e4c33689c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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