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Hydrochloric Acid → 5-(3,3-Dimethyl-but-1-ynyl)-3-[[2-(ethoxy-methyl-phosphinoyl)-ethyl]-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid

HRID 1150992
Notes
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Reaction equation

HRID 1150992 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:28]#[C:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH2:20][CH2:21][P:22](=[O:23])([CH3:24])[O:25][CH2:26][CH3:27].[CH3:43][OH:44].[ClH:37].[Li+:35].[OH-:34].[OH2:36]>>[O:2]=[C:3]([OH:4])[c:5]1[s:6][c:7]([C:28]#[C:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH2:20][CH2:21][P:22](=[O:23])([CH3:24])[O:25][CH2:26][CH3:27]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 670337505-(3,3-Dimethyl-but-1-ynyl)-3-[[2-(ethoxy-methyl-phosphinoyl)-ethyl]-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 670359145-(3,3-Dimethyl-but-1-ynyl)-3-[[2-(ethoxy-methyl-phosphinoyl)-ethyl]-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-a89d9612f910465ca64c70293a71b2e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes