Chloroform → 1-(4-fluorophenyl)-N-{[2-(trifluoromethyl)-2-oxiranyl]methyl}-indazol-4-amine

HRID 1235743Notes

Reaction equation

HRID 1235743 reaction equation
[Bi:37]([Cl:38])([Cl:39])[Cl:40].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][C:13]2([C:16]([F:17])([F:18])[F:19])[O:14][CH2:15]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[CH:57]([Cl:58])([Cl:59])[Cl:60].[Cl:54][CH2:55][Cl:56].[F:20][c:21]1[cH:22][cH:23][c:24](-[n:27]2[n:28][cH:29][c:30]3[c:31]([NH2:36])[cH:32][cH:33][cH:34][c:35]23)[cH:25][cH:26]1.[O-:50][C:51](=[O:52])[O-:53].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70]>>[CH2:12]([C:13]1([C:16]([F:17])([F:18])[F:19])[O:14][CH2:15]1)[NH:36][c:31]1[c:30]2[cH:29][n:28][n:27](-[c:24]3[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]3)[c:35]2[cH:34][cH:33][cH:32]1

Participants

10

Reactant 9

HCID 6212ChloroformHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 24591Bismuth trichlorideHCID 81531DiisopropylethylamineHCID 24809749(2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonateHCID 249380581-(4-Fluorophenyl)-1H-indazol-4-amine

Product 1

HCID 249380561-(4-fluorophenyl)-N-{[2-(trifluoromethyl)-2-oxiranyl]methyl}-indazol-4-amine

Sources & evidence

ORD record
ord-e110256053d1439fb829c42016441304
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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