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 702929Notes

Reaction equation

HRID 702929 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][C:8](=[O:9])[O:10][CH:11]1[O:12][CH2:13][CH3:14])[CH:15]=[CH2:16].[NH2:17][c:18]1[cH:19][cH:20][c:21]([C:22]([NH:23][CH:24]([CH3:25])[C:26]([N:27]2[CH2:28][CH2:29][CH2:30][CH:31]2[C:32]([OH:33])=[O:34])=[O:35])=[O:36])[cH:37][c:38]1[Cl:39].[O:40]=[C:41]1[CH2:42][CH:43]([NH:55][C:56](=[O:57])[CH:58]2[N:59]([C:63]([CH:64]([CH3:65])[NH:66][C:67]([c:68]3[cH:69][c:70]([Cl:75])[c:71]([NH2:74])[cH:72][cH:73]3)=[O:76])=[O:77])[CH2:60][CH2:61][CH2:62]2)[CH:44]([O:46][CH2:47][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[O:45]1>>[O:40]=[C:41]1[CH2:42][CH:43]([NH:55][C:56](=[O:57])[CH:58]2[N:59]([C:63]([CH:64]([CH3:65])[NH:66][C:67]([c:68]3[cH:69][c:70]([Cl:75])[c:71]([NH2:74])[cH:72][cH:73]3)=[O:76])=[O:77])[CH2:60][CH2:61][CH2:62]2)[CH:44]([O:46][CH2:47][CH3:48])[O:45]1

Participants

4

Reactant 3

HCID 186236851-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acidHCID 22149038(2-Ethoxy-5-oxo-tetrahydrofuran-3-yl)-carbamic acid allyl esterHCID 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-0619004003824a71bcecc6bf2fad1bc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…