1,2-Dichloroethane → tert-butyl N-[1-(2-carbamoylpyrrolidin-1-yl)-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]carbamate

HRID 296106Notes

Reaction equation

HRID 296106 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH2:14][C:15](=[O:16])[N:17]1[CH:18]([CH2:22][O:23][CH3:24])[CH2:19][CH2:20][CH2:21]1.[CH2:44]([Cl:45])[CH2:46][Cl:47].[Cl:48][CH2:49][Cl:50].[NH2:25][C:26](=[O:27])[CH:28]1[CH2:29][CH2:30][CH2:31][NH:32]1.[OH2:43].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[N:32]1[CH:28]([C:26]([NH2:25])=[O:27])[CH2:29][CH2:30][CH2:31]1)[CH2:13][CH2:14][C:15](=[O:16])[N:17]1[CH:18]([CH2:22][O:23][CH3:24])[CH2:19][CH2:20][CH2:21]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 962WaterHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 550774Pyrrolidine-2-carboxamideHCID 673932055-[2-(Methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Product 1

HCID 77277523tert-butyl N-[1-(2-carbamoylpyrrolidin-1-yl)-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]carbamate

Sources & evidence

ORD record
ord-c96820e80f6741f4bf85984e0ab5e961
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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