Sodium ion → 1-Phenyl-N-{[2-(trifluoromethyl)-2-oxiranyl]methyl}-1H-indazol-4-amine

HRID 1237974Notes

Reaction equation

HRID 1237974 reaction equation
[Bi:1]([Cl:2])([Cl:3])[Cl:4].[CH3:5][c:6]1[cH:7][cH:8][c:9]([S:10]([O:11][CH2:16][C:17]2([C:20]([F:21])([F:22])[F:23])[O:18][CH2:19]2)(=[O:12])=[O:13])[cH:14][cH:15]1.[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[CH:63]([Cl:64])([Cl:65])[Cl:66].[Cl:60][CH2:61][Cl:62].[Na+:40].[Na+:41].[O-:42][S:43](=[O:44])(=[O:45])[O-:46].[O-:47][C:48](=[O:49])[O-:50].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[c:24]1(-[n:30]2[n:31][cH:32][c:33]3[c:34]([NH2:39])[cH:35][cH:36][cH:37][c:38]23)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH2:16]([C:17]1([C:20]([F:21])([F:22])[F:23])[O:18][CH2:19]1)[NH:39][c:34]1[c:33]2[cH:32][n:31][n:30](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:38]2[cH:37][cH:36][cH:35]1

Participants

11

Reactant 10

HCID 923Sodium ion2×HCID 1117Sulfate IonHCID 6212ChloroformHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 24591Bismuth trichlorideHCID 81531DiisopropylethylamineHCID 24809749(2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonateHCID 249380571-phenyl-1H-indazol-4-amine

Product 1

HCID 249380531-Phenyl-N-{[2-(trifluoromethyl)-2-oxiranyl]methyl}-1H-indazol-4-amine

Sources & evidence

ORD record
ord-a2c50a0ab4f147239eeb1155141e8661
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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