Dichloromethane → 3,3,3-Trifluoropropane-1-sulfonic acid 4-[1-(2-chlorophenyl)-3-methyl-4-oxo-5-piperidin-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-yl]phenyl ester

HRID 195968Notes

Reaction equation

HRID 195968 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:1][c:2]1[c:3](-[n:8]2[c:9](-[c:25]3[cH:26][cH:27][c:28]([OH:31])[cH:29][cH:30]3)[c:10]([CH3:24])[c:11]3[c:16]2[CH2:15][CH2:14][N:13]([N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[C:12]3=[O:23])[cH:4][cH:5][cH:6][cH:7]1.[Cl:50][CH2:51][Cl:52].[F:44][C:45]([CH2:46][CH3:47])([F:48])[F:49].[S:39](=[O:40])(=[O:41])([Cl:42])[Cl:43]>>[Cl:1][c:2]1[c:3](-[n:8]2[c:9](-[c:25]3[cH:26][cH:27][c:28]([O:31][S:39](=[O:40])(=[O:41])[CH2:47][CH2:46][C:45]([F:44])([F:48])[F:49])[cH:29][cH:30]3)[c:10]([CH3:24])[c:11]3[c:16]2[CH2:15][CH2:14][N:13]([N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[C:12]3=[O:23])[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 24648Sulfuryl chlorideHCID 678991,1,1-TrifluoropropaneHCID 166661641-(2-Chlorophenyl)-2-(4-hydroxyphenyl)-3-methyl-5-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-4-one

Product 1

HCID 160433293,3,3-Trifluoropropane-1-sulfonic acid 4-[1-(2-chlorophenyl)-3-methyl-4-oxo-5-piperidin-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-yl]phenyl ester

Sources & evidence

ORD record
ord-9d7551bcf17549629519974f0a96e692
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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