1,2-Dichloroethane → N,N-Diethyl-3-[7-(4-fluoro-benzyl)-9-hydroxy-5-methoxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-6-ylsulfanyl]-propionamide

HRID 1224312Notes

Reaction equation

HRID 1224312 reaction equation
[CH2:32]([Cl:33])[CH2:34][Cl:35].[CH2:36]([CH3:37])[NH:38][CH2:39][CH3:40].[Cl:41][CH2:42][Cl:43].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH:8]([S:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29])[c:9]3[c:10]([O:22][CH3:23])[c:11]4[cH:12][cH:13][cH:14][n:15][c:16]4[c:17]([OH:21])[c:18]3[C:19]2=[O:20])[cH:30][cH:31]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH:8]([S:24][CH2:25][CH2:26][C:27](=[O:28])[N:38]([CH2:36][CH3:37])[CH2:39][CH3:40])[c:9]3[c:10]([O:22][CH3:23])[c:11]4[cH:12][cH:13][cH:14][n:15][c:16]4[c:17]([OH:21])[c:18]3[C:19]2=[O:20])[cH:30][cH:31]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 8021DiethylamineHCID 100034673-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-6-yl]sulfanyl]propanoic acid

Product 1

HCID 10323596N,N-Diethyl-3-[7-(4-fluoro-benzyl)-9-hydroxy-5-methoxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-6-ylsulfanyl]-propionamide

Sources & evidence

ORD record
ord-8bdfb75fb6384dee8b2e7b5f3ce51558
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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