1,2-Dichloroethane → {1-Cyclohexyl-2-[4-methanesulfonyl-6-(1-phenyl-ethylcarbamoyl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester

HRID 2127089Notes

Reaction equation

HRID 2127089 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]2[N:16]([S:23](=[O:24])(=[O:25])[CH3:26])[CH2:17][CH:18]([C:20](=[O:21])[OH:22])[CH:19]12)[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH3:33][CH:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[NH2:41].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:65][CH2:66][Cl:67].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]2[N:16]([S:23](=[O:24])(=[O:25])[CH3:26])[CH2:17][CH:18]([C:20](=[O:22])[NH:41][CH:34]([CH3:33])[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH:19]12)[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 74081-PhenethylamineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 672816954-(2-tert-Butoxycarbonylamino-2-cyclohexyl-acetyl)-1-methanesulfonyl-octahydro-pyrrolo[3,2-b]pyrrole-3-carboxylic acid

Product 1

HCID 67282347{1-Cyclohexyl-2-[4-methanesulfonyl-6-(1-phenyl-ethylcarbamoyl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-6ec786cf8bbc467bb19ea1beebf17ad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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