Hydrochloric Acid → HCID 86659761, compound

HRID 1558062Notes

Reaction equation

HRID 1558062 reaction equation
[C:43](=[O:44])([n:45]1[cH:46][cH:47][n:48][cH:49]1)[n:50]1[cH:51][cH:52][n:53][cH:54]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:56][c:57]1[c:58]([N:63]2[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]2)[cH:59][cH:60][cH:61][cH:62]1.[ClH:55].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:6][N:7]([S:8](=[O:9])(=[O:10])[c:11]2[c:12]([OH:19])[c:13]([Cl:18])[cH:14][c:15]([Cl:17])[cH:16]2)[CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[cH:31][cH:32][cH:33]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:6][N:7]([S:8](=[O:9])(=[O:10])[c:11]2[c:12]([OH:19])[c:13]([Cl:18])[cH:14][c:15]([Cl:17])[cH:16]2)[CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[cH:31][cH:32][cH:33]1)[C:43](=[O:44])[N:66]1[CH2:65][CH2:64][N:63]([c:58]2[c:57]([Cl:56])[cH:62][cH:61][cH:60][cH:59]2)[CH2:68][CH2:67]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 81531DiisopropylethylamineHCID 4156281-(2-Chlorophenyl)piperazineHCID 58531583HCID 58531583, compound

Product 1

HCID 86659761HCID 86659761, compound

Sources & evidence

ORD record
ord-431c6d8954164f7b965b6240f029a716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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