Dichloromethane → Trifluoroacetic acid

HRID 211376Notes

Reaction equation

HRID 211376 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12](=[O:13])[CH:14]([CH2:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[NH:24][C:25](=[O:26])[c:27]2[n:28][c:29]3[cH:30][c:31]([CH3:47])[cH:32][cH:33][c:34]3[c:35]([O:37][C:38]3([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:39][CH2:40][CH2:41]3)[cH:36]2)[CH2:10][CH2:11]1.[CH2:48]([Cl:49])[Cl:50].[F:51][C:52]([C:53](=[O:54])[OH:55])([F:56])[F:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12](=[O:13])[CH:14]([CH2:15][CH2:16][C:17](=[O:18])[OH:19])[NH:24][C:25](=[O:26])[c:27]2[n:28][c:29]3[cH:30][c:31]([CH3:47])[cH:32][cH:33][c:34]3[c:35]([O:37][C:38]3([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:39][CH2:40][CH2:41]3)[cH:36]2)[CH2:10][CH2:11]1.[F:51][C:52]([C:53](=[O:54])[OH:55])([F:56])[F:57]

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 221848412-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline

Product 2

HCID 6422Trifluoroacetic acidHCID 221850552-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-carboxypropyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline

Sources & evidence

ORD record
ord-baf005c8f9b9499fbb5001e799badd31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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