1,2-Dichloroethane → HCID 178501646, compound

HRID 1150518Notes

Reaction equation

HRID 1150518 reaction equation
[CH2:68]([Cl:69])[CH2:70][Cl:71].[CH3:51][O:52][C:53]([CH:54]([CH:55]1[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)[NH2:61])=[O:62].[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:63]=[CH:64][N:65]([CH3:66])[CH3:67].[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:61][CH:54]([C:53]([O:52][CH3:51])=[O:62])[CH:55]4[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]4)[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 11959091Methyl 2-amino-2-cyclohexylacetateHCID 668546965-[2-[2-(Cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylic acid

Product 1

HCID 178501646HCID 178501646, compound

Sources & evidence

ORD record
ord-6006cb672c3a4e60bc07217e5f0b9322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…