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Acetic Acid → 4-(9H-benzo[f]pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)benzoic acid

HRID 1234449
Notes
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Reaction equation

HRID 1234449 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][OH:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Li+:29].[OH-:30].[OH2:31].[n:1]1[n:2][c:3](-[c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]2)[n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[NH:7][c:6]1[c:5]-2[cH:18][cH:17][cH:16][n:15]1>>[n:1]1[n:2][c:3](-[c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:27][cH:28]2)[n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[NH:7][c:6]1[c:5]-2[cH:18][cH:17][cH:16][n:15]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 28486Lithium CationHCID 136163852methyl 4-(9H-benzo[f]pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)benzoate

Product 1

HCID 1361637624-(9H-benzo[f]pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)benzoic acid

Sources & evidence

ORD record
ord-3f5b979d9999424cb8b99250919a235f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes