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Acetic Acid → 3-[5-(Azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(1-methoxypropan-2-yloxy)benzoic acid

HRID 1537541
Notes
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Reaction equation

HRID 1537541 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[ClH:36].[N:1]1([C:5](=[O:6])[c:7]2[n:8][cH:9][c:10]([O:13][c:14]3[cH:15][c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][c:22]([O:24][CH:25]([CH2:26][O:27][CH3:28])[CH3:29])[cH:23]3)[n:11][cH:12]2)[CH2:2][CH2:3][CH2:4]1.[Na+:31].[OH-:30].[OH2:37]>>[N:1]1([C:5](=[O:6])[c:7]2[n:8][cH:9][c:10]([O:13][c:14]3[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:21][c:22]([O:24][CH:25]([CH2:26][O:27][CH3:28])[CH3:29])[cH:23]3)[n:11][cH:12]2)[CH2:2][CH2:3][CH2:4]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 75274609Methyl 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(1-methoxypropan-2-yloxy)benzoate

Product 1

HCID 674881383-[5-(Azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(1-methoxypropan-2-yloxy)benzoic acid

Sources & evidence

ORD record
ord-58e48fae525547e1a3956579bc530596
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes