Hydrochloric Acid → N-[1-(1H-indazol-5-yl)ethyl]-6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

HRID 199387Notes

Reaction equation

HRID 199387 reaction equation
[CH3:54][C:55]#[N:56].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:18][C:19]([C:20]([Cl:21])=[O:22])=[O:23].[Cl:51][CH2:52][Cl:53].[ClH:24].[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([cH:14][cH:15]1)[O:7][CH:8]([C:11](=[O:12])[OH:13])[CH2:9][O:10]2)([F:16])[F:17].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[nH:25]1[n:26][cH:27][c:28]2[cH:29][c:30]([CH:34]([CH3:35])[NH2:36])[cH:31][cH:32][c:33]12>>[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([cH:14][cH:15]1)[O:7][CH:8]([C:11](=[O:13])[NH:36][CH:34]([c:30]1[cH:29][c:28]3[cH:27][n:26][nH:25][c:33]3[cH:32][cH:31]1)[CH3:35])[CH2:9][O:10]2)([F:16])[F:17]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 441192381-(1H-indazol-5-yl)ethan-1-amineHCID 668393906-(Trifluoromethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

Product 1

HCID 74947214N-[1-(1H-indazol-5-yl)ethyl]-6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Sources & evidence

ORD record
ord-b3f0b6fdef594cc0bad6408910cdeb6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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