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Acetic Acid → Carbonic acid 2-{3-[(4-cyanophenylamino)-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]-2-fluoro-5-methoxyphenoxy}ethyl ester methyl ester

HRID 156551
Notes
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Reaction equation

HRID 156551 reaction equation
[BH3:40].[CH3:1][O:2][C:3]([O:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([F:38])[c:10]([C:16]([c:17]2[n:18][n:19](-[c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[c:20](=[O:22])[nH:21]2)=[N:29][c:30]2[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]2)[cH:11][c:12]([O:14][CH3:15])[cH:13]1)=[O:39].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][n:47]1.[CH3:48][OH:49].[CH3:51][C:52](=[O:53])[OH:54].[OH2:50]>>[CH3:1][O:2][C:3]([O:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([F:38])[c:10]([CH:16]([c:17]2[n:18][n:19](-[c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[c:20](=[O:22])[nH:21]2)[NH:29][c:30]2[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]2)[cH:11][c:12]([O:14][CH3:15])[cH:13]1)=[O:39]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 6331BoraneHCID 79752-MethylpyridineHCID 136334031Carbonic acid 2-{3-[(4-cyanophenylimino)-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]-2-fluoro-5-methoxyphenoxy}ethyl ester methyl ester

Product 1

HCID 136334032Carbonic acid 2-{3-[(4-cyanophenylamino)-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]-2-fluoro-5-methoxyphenoxy}ethyl ester methyl ester

Sources & evidence

ORD record
ord-6eee795c570741beabcce4eb3f6583d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes