Dichloromethane → Trifluoroacetic acid

HRID 112847Notes

Reaction equation

HRID 112847 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([NH:23][c:24]3[n:25][n:26][c:27]4[c:28]([n:29]3)[c:30]([CH3:42])[cH:31][c:32](-[c:34]3[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]3[Cl:40])[cH:33]4)[cH:21][cH:22]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([C:45](=[O:46])[OH:47])([F:48])[F:49]>>[F:43][C:44]([C:45](=[O:46])[OH:47])([F:48])[F:49].[NH:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([NH:23][c:24]3[n:25][n:26][c:27]4[c:28]([n:29]3)[c:30]([CH3:42])[cH:31][c:32](-[c:34]3[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]3[Cl:40])[cH:33]4)[cH:21][cH:22]2)[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 116502904-{4-[7-(2,6-Dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-benzenesulfonyl}-piperazine-1-carboxylic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 115918247-(2,6-dichlorophenyl)-5-methyl-N-(4-piperazin-1-ylsulfonylphenyl)-1,2,4-benzotriazin-3-amine

Sources & evidence

ORD record
ord-510828d0cef2428bba70b5d9976490fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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