3-Hydroxyazetidine → 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(3-hydroxy-azetidine-1-carbonyl)-5-(2,2,2-trifluoro-ethoxy)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 1129823Notes

Reaction equation

HRID 1129823 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:31]([NH:32][CH:33]4[CH2:34][CH2:35][N:36]([CH:39]([CH3:40])[CH3:41])[CH2:37][CH2:38]4)=[O:42])[n:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])[c:21]4[C:22](=[O:23])[OH:24])[n:10][o:11]2)[s:6]1.[NH:43]1[CH2:44][CH:45]([OH:47])[CH2:46]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:31]([NH:32][CH:33]4[CH2:34][CH2:35][N:36]([CH:39]([CH3:40])[CH3:41])[CH2:37][CH2:38]4)=[O:42])[n:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])[c:21]4[C:22](=[O:23])[N:43]3[CH2:44][CH:45]([OH:47])[CH2:46]3)[n:10][o:11]2)[s:6]1

Participants

3

Reactant 2

HCID 15142903-HydroxyazetidineHCID 670113761-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-5-(2,2,2-trifluoro-ethoxy)-1H-benzoimidazole-4-carboxylic acid

Product 1

HCID 670125121-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(3-hydroxy-azetidine-1-carbonyl)-5-(2,2,2-trifluoro-ethoxy)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

Sources & evidence

ORD record
ord-01771905396540368ba76f740d2c87b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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