Methanol → Trifluoroacetic acid

HRID 100879

Reaction equation

HRID 100879 reaction equation
[CH3:69][N:70]1[CH2:71][CH2:72][CH2:73][C:74]1=[O:75].[CH3:76][OH:77].[Cl:50][C:51](=[O:52])[O:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:35][CH2:36][CH:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:34])[CH:25]([OH:33])[CH:26]([NH:28][C:29]([CH2:30][OH:31])=[O:32])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1.[OH:60][c:61]1[cH:62][c:63]([CH2:64][NH2:65])[cH:66][cH:67][cH:68]1>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:8]([CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:35][CH2:36][CH:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:34])[CH:25]([OH:33])[CH:26]([NH:28][C:29]([CH2:30][OH:31])=[O:32])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1)[C:51](=[O:52])[NH:65][CH2:64][c:63]1[cH:62][c:61]([OH:60])[cH:68][cH:67][cH:66]1

Participants

8

Reactant 6

HCID 887MethanolHCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 15891Phenyl chloroformateHCID 7358943-(Aminomethyl)phenolHCID 178507881HCID 178507881, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178521493HCID 178521493, compound

Sources & evidence

ORD record
ord-4326aef317774f31b1d28b3f8402df48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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