Acetic Acid → HCID 10230023, compound

HRID 1152761Notes

Reaction equation

HRID 1152761 reaction equation
[CH3:33][C:34]([OH:35])=[O:36].[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:58][N:59]([CH3:60])[c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:13][CH2:14][C:15](=[O:16])[N:17]2[CH:18]([CH3:32])[CH2:19][N:20]([CH2:24][c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:21]([CH3:23])[CH2:22]2)[c:6]([CH2:8][S:9](=[O:10])(=[O:11])[NH2:12])[cH:7]1.[Cl:55][CH2:56][Cl:57]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:13][CH2:14][C:15](=[O:16])[N:17]2[CH:18]([CH3:32])[CH2:19][N:20]([CH2:24][c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:21]([CH3:23])[CH2:22]2)[c:6]([CH2:8][S:9](=[O:10])(=[O:11])[NH:12][C:34]([CH3:33])=[O:35])[cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 21973445[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methanesulfonamide

Product 1

HCID 10230023HCID 10230023, compound

Sources & evidence

ORD record
ord-d26db78d957745ebb37c3846464e8c4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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