4-Acetamido-3-chlorobenzoic acid → 1-[2-(4-Acetylamino-3-chloro-benzoylamino)-propionyl]-piperidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)amide

HRID 2343331Notes

Reaction equation

HRID 2343331 reaction equation
[C:1]([O:2][C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:17]([NH:18][CH:19]2[CH:20]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[O:21][C:22](=[O:24])[CH2:23]2)=[O:33])[CH2:13][CH2:14][CH2:15][CH2:16]1)[CH3:34])=[O:35])([CH3:3])([CH3:4])[CH3:5].[C:36]([CH3:37])(=[O:38])[NH:39][c:40]1[c:41]([Cl:49])[cH:42][c:43]([C:44]([OH:45])=[O:46])[cH:47][cH:48]1.[O:50]=[C:51]1[O:52][CH:53]([O:54][CH2:55][CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[CH:63]([NH:64][C:65]([CH:66]2[CH2:67][CH2:68][CH2:69][N:70]2[C:71](=[O:72])[CH:73]([NH:74][C:75](=[O:76])[c:77]2[cH:78][cH:79][c:80]([NH2:81])[c:82]([Cl:83])[cH:84]2)[CH3:85])=[O:86])[CH2:87]1>>[C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:17]([NH:18][CH:19]2[CH:20]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[O:21][C:22](=[O:24])[CH2:23]2)=[O:33])[CH2:13][CH2:14][CH2:15][CH2:16]1)[CH3:34])(=[O:35])[c:43]1[cH:42][c:41]([Cl:49])[c:40]([NH:39][C:36]([CH3:37])=[O:38])[cH:48][cH:47]1

Participants

4

Reactant 3

HCID 6809514-Acetamido-3-chlorobenzoic acidHCID 229775121-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (5-oxo-2-phenethyloxy-tetrahydro-furan-3-yl)-amideHCID 22977789{2-[2-(2-Benzyloxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-piperidin-1-yl]-1-methyl-2-oxo-ethyl}-carbamic acid tert-butyl ester

Product 1

HCID 865905601-[2-(4-Acetylamino-3-chloro-benzoylamino)-propionyl]-piperidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)amide

Sources & evidence

ORD record
ord-0cfca7786ab147118ec300e05b8c0d68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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