Methanol → 5-(3-chlorophenyl)-7-[(4-chlorophenyl)[4-methyl-5-(methylthio)-4H-1,2,4triazol-3-yl]methyl]-tetrazolo[1,5-a]quinoline

HRID 2322268Notes

Reaction equation

HRID 2322268 reaction equation
[CH3:39][OH:40].[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH:10]([c:11]2[n:12]([CH3:17])[c:13]([SH:16])[n:14][n:15]2)[c:18]2[cH:19][c:20]3[c:21](-[c:31]4[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]4)[cH:22][c:23]4[n:24]([c:25]3[cH:26][cH:27]2)[n:28][n:29][n:30]4)[cH:8][cH:9]1.[I:1][CH3:2].[OH2:38]>>[CH3:2][S:16][c:13]1[n:12]([CH3:17])[c:11]([CH:10]([c:7]2[cH:6][cH:5][c:4]([Cl:3])[cH:9][cH:8]2)[c:18]2[cH:19][c:20]3[c:21](-[c:31]4[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]4)[cH:22][c:23]4[n:24]([c:25]3[cH:26][cH:27]2)[n:28][n:29][n:30]4)[n:15][n:14]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6328Methyl iodideHCID 178481698HCID 178481698, compound

Product 1

HCID 210820605-(3-chlorophenyl)-7-[(4-chlorophenyl)[4-methyl-5-(methylthio)-4H-1,2,4triazol-3-yl]methyl]-tetrazolo[1,5-a]quinoline

Sources & evidence

ORD record
ord-7ec8183d7a5d454eb5c3ad2500153c3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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