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

HRID 308672Notes

Reaction equation

HRID 308672 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:1][c:2]1[c:3](-[n:9]2[c:10](-[c:26]3[cH:27][cH:28][c:29]([OH:32])[cH:30][cH:31]3)[c:11]([CH3:25])[c:12]3[c:17]2[CH2:16][CH2:15][N:14]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:13]3=[O:24])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:50][CH2:51][Cl:52].[F:40][C:41]([CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[Cl:47])([F:48])[F:49]>>[Cl:1][c:2]1[c:3](-[n:9]2[c:10](-[c:26]3[cH:27][cH:28][c:29]([O:32][S:44]([CH2:43][CH2:42][C:41]([F:40])([F:48])[F:49])(=[O:45])=[O:46])[cH:30][cH:31]3)[c:11]([CH3:25])[c:12]3[c:17]2[CH2:16][CH2:15][N:14]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:13]3=[O:24])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 27611773,3,3-Trifluoropropane-1-sulfonyl chlorideHCID 166661651-(2,4-Dichlorophenyl)-2-(4-hydroxyphenyl)-3-methyl-5-piperidin-1-yl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-4-one

Product 1

HCID 166659293,3,3-Trifluoropropane-1-sulfonic acid 4-[1-(2,4-dichlorophenyl)-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-c668cd7585304a389149cc7ab1f885f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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