Methanol → [3-(1-Pyridin-2-yl-cyclopropylcarbamoyl)-oxetan-3-yl]-carbamic acid tert-butyl ester

HRID 1149943Notes

Reaction equation

HRID 1149943 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([C:13](=[O:14])[OH:15])[CH2:10][O:11][CH2:12]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:62][OH:63].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:64].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:16]1[c:17]([C:22]2([NH2:25])[CH2:23][CH2:24]2)[cH:18][cH:19][cH:20][cH:21]1.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([C:13](=[O:15])[NH:25][C:22]2([c:17]3[n:16][cH:21][cH:20][cH:19][cH:18]3)[CH2:23][CH2:24]2)[CH2:10][O:11][CH2:12]1

Participants

9

Reactant 8

HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 111054091-(Pyridin-2-yl)cyclopropanamineHCID 565929693-(Boc-amino)oxetane-3-carboxylic acid

Product 1

HCID 58430978[3-(1-Pyridin-2-yl-cyclopropylcarbamoyl)-oxetan-3-yl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-b2e31156e75e4dacb64212b7f3a1dc98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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