Methanol → {1-[1-Cyclohexyl-2-oxo-2-(6-phenylcarbamoyl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl)-ethylcarbamoyl]-ethyl}-methyl-carbamic acid tert-butyl ester

HRID 288559Notes

Reaction equation

HRID 288559 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH:12]2[CH:13]([CH:14]([C:16]([NH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)=[O:24])[CH2:15]1)[N:25]([C:28]([CH:29]([CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1)[NH:36][C:37]([CH:38]([CH3:39])[N:40]([CH3:41])[C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])=[O:50])[CH2:26][CH2:27]2)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:51][OH:52]>>[NH:11]1[CH:12]2[CH:13]([CH:14]([C:16]([NH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)=[O:24])[CH2:15]1)[N:25]([C:28]([CH:29]([CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1)[NH:36][C:37]([CH:38]([CH3:39])[N:40]([CH3:41])[C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])=[O:50])[CH2:26][CH2:27]2

Participants

3

Reactant 2

HCID 887MethanolHCID 672822034-{2-[2-(tert-Butoxycarbonyl-methyl-amino)-propionylamino]-2-cyclohexyl-acetyl}-3-phenylcarbamoyl-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester

Product 1

HCID 67280553{1-[1-Cyclohexyl-2-oxo-2-(6-phenylcarbamoyl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl)-ethylcarbamoyl]-ethyl}-methyl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-b26b4513592741fca62546d48d3241fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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