1,2-Dichloroethane → HCID 178457276, compound

HRID 684667Notes

Reaction equation

HRID 684667 reaction equation
[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][c:14](-[c:16]2[s:17][cH:18][cH:19][n:20]2)[cH:15]1)[CH2:21][CH2:22][CH3:23].[CH2:67]([Cl:68])[CH2:69][Cl:70].[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[ClH:24].[ClH:25].[NH2:26][CH:27]([CH:28]([CH2:29][NH:30][CH2:31][c:32]1[cH:33][c:34]([CH2:38][CH3:39])[cH:35][cH:36][cH:37]1)[OH:40])[CH2:41][c:42]1[cH:43][c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]1.[OH2:76].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:12])[NH:26][CH:27]([CH:28]([CH2:29][NH:30][CH2:31][c:32]2[cH:33][c:34]([CH2:38][CH3:39])[cH:35][cH:36][cH:37]2)[OH:40])[CH2:41][c:42]2[cH:43][c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]2)[cH:13][c:14](-[c:16]2[s:17][cH:18][cH:19][n:20]2)[cH:15]1)[CH2:21][CH2:22][CH3:23]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 757711-HydroxybenzotriazoleHCID 210857833-[(Dipropylamino)carbonyl]-5-(1,3-thiazol-2-yl)benzoic AcidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 178457276HCID 178457276, compound

Sources & evidence

ORD record
ord-f9f8a8dcab5b448db119ce465e34bee1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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