Propionic Acid → Propionic Acid

HRID 1114150Notes

Reaction equation

HRID 1114150 reaction equation
[CH2:38]([C:39]([OH:40])=[O:41])[CH3:42].[CH2:8]([CH3:9])[C:10](=[O:11])[OH:12].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:58][N:59]([CH2:60][C:61]#[CH:62])[CH3:63].[Cl:13][c:14]1[cH:15][cH:16][c:17]([NH:18][S:19](=[O:20])(=[O:21])[c:24]2[cH:25][c:26]3[c:27]4[c:28]([c:29](=[O:34])[nH:30][c:31]3[cH:32][cH:33]2)[nH:35][cH:36][cH:37]4)[cH:22][cH:23]1.[Cu:70]([I:71])[I:72].[I:43][c:44]1[cH:45][cH:46][c:47]2[nH:48][c:49](=[O:50])[c:51]3[nH:52][cH:53][cH:54][c:55]3[c:56]2[cH:57]1.[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1>>[CH2:8]([CH3:9])[C:10](=[O:11])[OH:12].[c:24]1([C:62]#[C:61][CH2:60][N:59]([CH3:58])[CH3:63])[cH:25][c:26]2[c:27]3[c:28]([c:29](=[O:34])[nH:30][c:31]2[cH:32][cH:33]1)[nH:35][cH:36][cH:37]3

Participants

9

Reactant 7

HCID 1032Propionic Acid2×HCID 8471TriethylamineHCID 312751,4-DioxaneHCID 81643N,N-DimethylpropargylamineHCID 83717Copper iodideHCID 68936033HCID 68936033, compoundHCID 68936774N-(4-chlorophenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

Product 2

HCID 1032Propionic AcidHCID 689347918-[3-(Dimethylamino)prop-1-ynyl]-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

Sources & evidence

ORD record
ord-6fd65ba005dd4b09be199aaab3d93b06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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