1,2-Dichloroethane → 1-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid tert-butyl ester

HRID 1538672Notes

Reaction equation

HRID 1538672 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:13]([CH:14]([CH3:15])[NH:16][C:17]([O:19][CH2:18][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[O:26])=[O:27])[CH2:10][CH2:11][CH2:12]1.[CH2:58]([Cl:59])[CH2:60][Cl:61].[CH3:62][OH:63].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:70][CH2:71][Cl:72].[NH2:28][c:29]1[c:30]([Cl:38])[cH:31][c:32]([C:33]([OH:34])=[O:35])[cH:36][cH:37]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:13]([CH:14]([CH3:15])[NH:16][C:17](=[O:19])[c:32]2[cH:31][c:30]([Cl:38])[c:29]([NH2:28])[cH:37][cH:36]2)=[O:27])[CH2:10][CH2:11][CH2:12]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 172114-Amino-3-chlorobenzoic acidHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 221684141-(2-Benzyloxycarbonylamino-propionyl)-pyrrolidine-2-carboxylic acid tert-butyl ester

Product 1

HCID 536934251-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-61db75c342d445afb58a5ad5872c7f93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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