1-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid → 1-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide

HRID 1214132Notes

Reaction equation

HRID 1214132 reaction equation
[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]([NH:7][CH:8]([CH3:9])[C:10]([N:11]2[CH2:12][CH2:13][CH2:14][CH:15]2[C:16]([OH:17])=[O:18])=[O:19])=[O:20])[cH:21][c:22]1[Cl:23].[O:24]=[C:25]1[CH2:26][CH:27]([NH:39][C:40](=[O:41])[CH:42]2[N:43]([C:47]([CH:48]([CH3:49])[NH:50][C:51]([c:52]3[cH:53][c:54]([Cl:59])[c:55]([NH2:58])[cH:56][cH:57]3)=[O:60])=[O:61])[CH2:44][CH2:45][CH2:46]2)[CH:28]([O:30][CH2:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[O:29]1>>[O:24]=[C:25]1[CH2:26][CH:27]([NH:39][C:40](=[O:41])[CH:42]2[N:43]([C:47]([CH:48]([CH3:49])[NH:50][C:51]([c:52]3[cH:53][c:54]([Cl:59])[c:55]([NH2:58])[cH:56][cH:57]3)=[O:60])=[O:61])[CH2:44][CH2:45][CH2:46]2)[CH:28]([O:30][CH2:31][CH3:32])[O:29]1

Participants

3

Reactant 2

HCID 186236851-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acidHCID 229775121-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (5-oxo-2-phenethyloxy-tetrahydro-furan-3-yl)-amide

Product 1

HCID 229775061-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide

Sources & evidence

ORD record
ord-cd122ad9c56f42e4bd41e1413159fd15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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