Dimethylformamide → Methanesulfonic Acid

HRID 1236700Notes

Reaction equation

HRID 1236700 reaction equation
[CH3:55][S:56](=[O:57])(=[O:58])[OH:59].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[cH:13][cH:14][cH:15]2)[CH2:22][CH:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][c:39]1[C:40]([F:41])([F:42])[F:43].[Cl:65][CH2:66][Cl:67].[I:44][CH3:45].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[CH3:55][S:56](=[O:57])(=[O:58])[OH:59].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][N:19]([CH3:46])[CH2:20][CH2:21]3)[cH:13][cH:14][cH:15]2)[CH2:22][CH:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][c:39]1[C:40]([F:41])([F:42])[F:43]

Participants

8

Reactant 6

HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 81531DiisopropylethylamineHCID 59701425(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-[3-(3-piperazin-1-yl-phenoxy)-propyl]-amine

Product 2

HCID 6395Methanesulfonic AcidHCID 59701409N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[3-(4-methylpiperazin-1-yl)phenoxy]propan-1-amine

Sources & evidence

ORD record
ord-1e63761d4a5547e38eaff73f90c5b68d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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