Methanol → HCID 21978980, compound

HRID 292641Notes

Reaction equation

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([NH:26][CH:27]2[CH2:28][CH2:29]2)[c:7]([Cl:25])[c:8]([N:12]2[CH2:13][CH:14]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16]2)[c:9]([F:11])[cH:10]1)=[O:30].[CH3:33][OH:34].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Na+:32].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:31]>>[O:3]=[C:4]([c:5]1[c:6]([NH:26][CH:27]2[CH2:28][CH2:29]2)[c:7]([Cl:25])[c:8]([N:12]2[CH2:13][CH:14]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16]2)[c:9]([F:11])[cH:10]1)[OH:30]

Participants

Reactant 6

HCID 887Methanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 8028Tetrahydrofuran

HCID 8857Ethyl Acetate

HCID 76578459Ethyl 3-chloro-2-(cyclopropylamino)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate

Product 1

HCID 21978980HCID 21978980, compound

Sources & evidence

ORD record: ord-6e1e9f53c02d43268067fdd0363ca3f5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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