1,2-Dichloroethane → HCID 178441028, compound

HRID 1138728Notes

Reaction equation

HRID 1138728 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:29]3[cH:30][c:31]([F:37])[c:32]([F:36])[c:33]([F:35])[cH:34]3)[n:17][n:18]2[CH2:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]2)[CH2:9][CH2:10]1.[CH2:63]([Cl:64])[CH2:65][Cl:66].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH2:57][c:58]1[n:59][n:60][n:61][nH:62]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:38][n:39]1[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:29]3[cH:30][c:31]([F:37])[c:32]([F:36])[c:33]([F:35])[cH:34]3)[n:17][n:18]2[CH2:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:26])[NH:57][c:58]3[n:59][n:60][n:61][nH:62]3)[cH:27][cH:28]2)[CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 68427207HCID 68427207, compoundHCID 178509299HCID 178509299, compound

Product 1

HCID 178441028HCID 178441028, compound

Sources & evidence

ORD record
ord-f70e3d487b3a4dd7a423701de45e17ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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