1,2-Dichloroethane → tert-butyl N-[[2-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carbonyl]amino]carbamate

HRID 688315Notes

Reaction equation

HRID 688315 reaction equation
[C:35](=[O:36])([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[NH:42][NH2:43].[CH2:54]([Cl:55])[CH2:56][Cl:57].[CH3:1][O:2][CH2:3][CH2:4][N:5]([c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH3:20])[n:14]1)[CH2:21][CH:22]1[CH:23]([CH3:25])[CH2:24]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:58][CH2:59][Cl:60].[OH:44][n:45]1[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([c:6]1[cH:7][c:8]([C:9](=[O:10])[NH:43][NH:42][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:12][c:13]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH3:20])[n:14]1)[CH2:21][CH:22]1[CH:23]([CH3:25])[CH2:24]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 70091tert-Butyl carbazateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 59028359HCID 59028359, compound

Product 1

HCID 69498270tert-butyl N-[[2-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carbonyl]amino]carbamate

Sources & evidence

ORD record
ord-db44b1d27d8449258dd32dd02e484769
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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