Dichloromethane → 1-Acetyl-6-bromo-2-({3-[4-(trifluoroacetyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroquinoline

HRID 1147881Notes

Reaction equation

HRID 1147881 reaction equation
[C:17]([CH3:18])(=[O:19])[N:20]1[CH:21]([C:31](=[O:32])[OH:33])[CH2:22][CH2:23][c:24]2[cH:25][c:26]([Br:30])[cH:27][cH:28][c:29]21.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:65][CH2:66][Cl:67].[NH:1]1[CH2:2][CH:3]([N:5]2[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2)[CH2:4]1.[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[N:1]1([C:31]([CH:21]2[N:20]([C:17]([CH3:18])=[O:19])[c:29]3[c:24]([cH:25][c:26]([Br:30])[cH:27][cH:28]3)[CH2:23][CH2:22]2)=[O:32])[CH2:2][CH:3]([N:5]2[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2)[CH2:4]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 596256781-(4-Azetidin-3-yl-piperazin-1-yl)-2,2,2-trifluoro-ethanoneHCID 596259471-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Product 1

HCID 596259251-Acetyl-6-bromo-2-({3-[4-(trifluoroacetyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroquinoline

Sources & evidence

ORD record
ord-ce9ac0dbd8cb4922a2ad637b3505ea2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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