Methanol → 2-(1,1-dimethylethoxycarbonylamino)-N-{2-[3-methoxy-4-(4-chlorophenyl-prop-2-ynyloxy)-phenyl]-ethyl}-3-methylbutyramide

HRID 2319043Notes

Reaction equation

HRID 2319043 reaction equation
[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[NH:11][CH2:12][CH2:13][c:14]1[cH:15][c:16]([O:21][CH3:22])[c:17]([OH:20])[cH:18][cH:19]1)[CH:23]([CH3:24])[CH3:25])[CH3:26].[CH3:48][O-:49].[CH3:51][OH:52].[Cl:27][c:28]1[cH:29][cH:30][c:31]([C:34]#[C:35][CH2:36][O:37][S:38]([c:39]2[cH:40][cH:41][c:42]([CH3:43])[cH:44][cH:45]2)(=[O:46])=[O:47])[cH:32][cH:33]1.[Na+:50]>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[NH:11][CH2:12][CH2:13][c:14]1[cH:15][c:16]([O:21][CH3:22])[c:17]([O:20][CH2:36][C:35]#[C:34][c:31]2[cH:30][cH:29][c:28]([Cl:27])[cH:33][cH:32]2)[cH:18][cH:19]1)[CH:23]([CH3:24])[CH3:25])[CH3:26]

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 3826051MethoxideHCID 184120642-(1,1-dimethylethoxycarbonylamino)-N-[2-(4-hydroxy-3-methoxy-phenyl)-ethyl]-3-methylbutyramideHCID 54290153Toluene-4-sulfonic acid 3-(4-chloro-phenyl)-prop-2-ynyl ester

Product 1

HCID 186198552-(1,1-dimethylethoxycarbonylamino)-N-{2-[3-methoxy-4-(4-chlorophenyl-prop-2-ynyloxy)-phenyl]-ethyl}-3-methylbutyramide

Sources & evidence

ORD record
ord-2ae71058bc0d465d8435d7a22e50239e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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