Pyridine → Chloride

HRID 690592Notes

Reaction equation

HRID 690592 reaction equation
[CH:1]12[NH:2][C:3](=[O:4])[CH:5]=[CH:6][C:7]1([CH3:8])[CH:9]1[CH:10]([CH:11]3[C:12]([CH3:15])([CH2:13][CH2:14]1)[CH:16]([C:17]([NH:18][c:19]1[c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][c:27]([C:28]([F:29])([F:30])[F:31])[cH:32]1)=[O:33])[CH2:34][CH2:35]3)[CH2:36][CH2:37]2.[O:38]=[C:39]1[CH:40]=[C:41]2[CH2:42][CH2:43][CH:44]3[CH:45]4[CH2:46][CH2:47][CH:48]([C:58](=[O:59])[OH:60])[C:49]4([CH3:50])[CH2:51][CH2:52][CH:53]3[C:54]2([CH3:57])[CH2:55][CH2:56]1.[S:61]([Cl:62])([Cl:63])=[O:64].[cH:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1>>[Cl-:63].[O:38]=[C:39]1[CH:40]=[C:41]2[CH2:42][CH2:43][CH:44]3[CH:45]4[CH2:46][CH2:47][CH:48]([C:58](=[O:59])[OH:60])[C:49]4([CH3:50])[CH2:51][CH2:52][CH:53]3[C:54]2([CH3:57])[CH2:55][CH2:56]1

Participants

6

Reactant 4

HCID 1049PyridineHCID 24386Thionyl ChlorideHCID 31281610,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acidHCID 21874792HCID 21874792, compound

Product 2

HCID 312ChlorideHCID 31281610,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Sources & evidence

ORD record
ord-ac2d10be06774abfb25bcfe7cb45ffa6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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