Trifluoroacetic acid → HCID 22593650, compound

HRID 1132148Notes

Reaction equation

HRID 1132148 reaction equation
[CH:32]1([NH2:35])[CH2:33][CH2:34]1.[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]2[CH2:12][CH2:13][S:14][c:15]3[c:16]([c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[cH:25][c:26]3[C:27]#[N:28])[C:17]2=[O:18])[CH2:29][CH:30]=[O:31])[cH:5][cH:6][c:7]1[Cl:8].[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]2[CH2:12][CH2:13][S:14][c:15]3[c:16]([c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[cH:25][c:26]3[C:27]#[N:28])[C:17]2=[O:18])[CH2:29][CH2:30][NH:35][CH:32]2[CH2:33][CH2:34]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 69828CyclopropylamineHCID 225936572-[2-(3,4-Dichlorophenyl)-4-oxobutyl]-1-oxo-3,4-dihydrobenzo[g][1,4]benzothiazepine-6-carbonitrile

Product 1

HCID 22593650HCID 22593650, compound

Sources & evidence

ORD record
ord-7d00f5699c954b93b0f4a1467079e395
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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