Acetic Acid → HCID 178448766, compound

HRID 663660Notes

Reaction equation

HRID 663660 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[n:27]1[n:28][c:29](-[c:32]2[c:33]([CH:34]=[O:35])[cH:36][cH:37][cH:38][cH:39]2)[n:30][n:31]1.[CH3:19][C:20](=[O:21])[OH:22].[CH3:40][OH:41].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12>>[N:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)=[CH:34][c:33]1[c:32](-[c:29]2[n:28][n:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[n:31][n:30]2)[cH:39][cH:38][cH:37][cH:36]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 211906522-(2-Tert-butyl-tetrazol-5-yl)-benzaldehydeHCID 178509242HCID 178509242, compound

Product 1

HCID 178448766HCID 178448766, compound

Sources & evidence

ORD record
ord-7b05beaaa4ea488ca0350e16fdec638f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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