Hydroxide → 1-[1-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

HRID 692134Notes

Reaction equation

HRID 692134 reaction equation
[Li+:55].[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:50][cH:51][cH:52][cH:53]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH:24]([N:27]3[CH:28]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:29][CH2:30][CH2:31]3)[CH2:25][CH2:26]2)[CH2:37][c:38]2[cH:39][c:40]([Cl:49])[c:41]([NH2:48])[c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]2)[CH2:13][CH2:14]1.[OH-:54]>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:50][cH:51][cH:52][cH:53]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH:24]([N:27]3[CH:28]([C:32](=[O:33])[OH:34])[CH2:29][CH2:30][CH2:31]3)[CH2:25][CH2:26]2)[CH2:37][c:38]2[cH:39][c:40]([Cl:49])[c:41]([NH2:48])[c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]2)[CH2:13][CH2:14]1

Participants

4

Reactant 3

HCID 961HydroxideHCID 28486Lithium ionHCID 66942049HCID 66942049, compound

Product 1

HCID 669415561-[1-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

Sources & evidence

ORD record
ord-f6942d8dd9564d9382e11996ca04287e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…