1,2-Dichloroethane → HCID 66855117, compound

HRID 2133704Notes

Reaction equation

HRID 2133704 reaction equation
[C:51]([CH3:52])([CH3:53])([CH3:54])[O:55][C:56]([CH:57]([NH2:58])[CH2:59][CH:60]([CH3:61])[CH3:62])=[O:63].[CH2:69]([Cl:70])[CH2:71][Cl:72].[CH:1]1([NH:5][C:6](=[O:7])[CH:8]2[N:9]([C:13]([CH2:14][O:15][c:16]3[cH:17][c:18]([C:27](=[O:28])[OH:29])[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:30])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:50].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:31][n:32]1[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH:1]1([NH:5][C:6](=[O:7])[CH:8]2[N:9]([C:13]([CH2:14][O:15][c:16]3[cH:17][c:18]([C:27](=[O:28])[NH:58][CH:57]([C:56]([O:55][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:63])[CH2:59][CH:60]([CH3:61])[CH3:62])[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:30])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 4342832Leucine, 1,1-dimethylethyl esterHCID 668546965-[2-[2-(Cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylic acid

Product 1

HCID 66855117HCID 66855117, compound

Sources & evidence

ORD record
ord-0f950c6c33524be7bf7669ea6e0f2cc7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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