Dichloromethane → Trifluoroacetic acid

HRID 1131980Notes

Reaction equation

HRID 1131980 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([NH:23][c:24]3[n:25][cH:26][c:27]([NH:30][C:31]([c:32]4[c:33]([Cl:46])[cH:34][cH:35][c:36]([NH:38][C:39](=[O:40])[c:41]5[s:42][cH:43][cH:44][cH:45]5)[cH:37]4)=[O:47])[cH:28][n:29]3)[cH:21][cH:22]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:55][CH2:56][Cl:57].[F:48][C:49]([C:50](=[O:51])[OH:52])([F:53])[F:54]>>[F:48][C:49]([C:50](=[O:51])[OH:52])([F:53])[F:54].[NH:8]1[CH2:9][CH2:10][CH:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([NH:23][c:24]3[n:25][cH:26][c:27]([NH:30][C:31]([c:32]4[c:33]([Cl:46])[cH:34][cH:35][c:36]([NH:38][C:39](=[O:40])[c:41]5[s:42][cH:43][cH:44][cH:45]5)[cH:37]4)=[O:47])[cH:28][n:29]3)[cH:21][cH:22]2)[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 596527044-[4-(5-{2-Chloro-5-[(Thiophene-2-Carbonyl)-Amino]-Benzoylamino}-Pyrimidin-2-ylamino)-Benzenesulfonyl]-Piperidine-1-Carboxylic Acid tert-Butyl Ester

Product 2

HCID 6422Trifluoroacetic acidHCID 24960368Thiophene-2-Carboxylic Acid (4-Chloro-3-{2-[4-(Piperidine-4-Sulfonyl)-Phenylamino]-Pyrimidin-5-ylcarbamoyl}-Phenyl)-Amide

Sources & evidence

ORD record
ord-126a461ca70d405a95cead552e666291
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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