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Methanol → 4-({[2-[(tert-Butoxycarbonyl)amino]-5-(2-thienyl)phenyl]amino}carbonyl)benzoic acid

HRID 2318947
Notes
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Reaction equation

HRID 2318947 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:20][C:21](=[O:22])[c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]2)[cH:11][c:12](-[c:15]2[s:16][cH:17][cH:18][cH:19]2)[cH:13][cH:14]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:34][OH:35].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Li+:37].[OH-:36].[OH2:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:20][C:21](=[O:22])[c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:31][cH:32]2)[cH:11][c:12](-[c:15]2[s:16][cH:17][cH:18][cH:19]2)[cH:13][cH:14]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 57607810Methyl 4-[({2-[(tert-butoxycarbonyl)amino]-5-thien-2-ylphenyl}amino)carbonyl]benzoate

Product 1

HCID 579259154-({[2-[(tert-Butoxycarbonyl)amino]-5-(2-thienyl)phenyl]amino}carbonyl)benzoic acid

Sources & evidence

ORD record
ord-2f39f4a9eb754c75b1480d8a4b0fc694
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes