N-methyl-2-pyrrolidone → HCID 178421451, compound

HRID 2143727Notes

Reaction equation

HRID 2143727 reaction equation
[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]1[CH:8]2[CH:9]3[CH2:10][CH2:11][C:12](=[O:27])[C:13]3([CH3:14])[CH2:15][CH:16]([F:26])[CH:17]2[c:18]2[cH:19][cH:20][c:21]([OH:25])[cH:22][c:23]2[CH2:24]1.[F:30][C:31]([CH2:32][CH2:33][CH2:34][S:35][CH2:36][CH:37]1[NH:38][CH2:39][CH2:40][CH2:41]1)([C:42]([F:43])([F:44])[F:45])[F:46].[I-:28].[Li+:29]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH:7]1[CH:8]2[CH:9]3[CH2:10][CH2:11][C:12](=[O:27])[C:13]3([CH3:14])[CH2:15][CH:16]([F:26])[CH:17]2[c:18]2[cH:19][cH:20][c:21]([OH:25])[cH:22][c:23]2[CH2:24]1)[N:38]1[CH:37]([CH2:36][S:35][CH2:34][CH2:33][CH2:32][C:31]([F:30])([C:42]([F:43])([F:44])[F:45])[F:46])[CH2:41][CH2:40][CH2:39]1

Participants

6

Reactant 5

HCID 13387N-methyl-2-pyrrolidoneHCID 28486Lithium ionHCID 30165Iodide IonHCID 17909984HCID 17909984, compoundHCID 234971177-(5-chloropentyl)-11-fluoro-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Product 1

HCID 178421451HCID 178421451, compound

Sources & evidence

ORD record
ord-a87c91f0cc5c4df38842b872a904a559
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…