Sodium ion → 2-[5-(4-Methyl-piperazin-1-ylmethyl)-2-nitro-phenylamino]-4-(2-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid amide

HRID 2132583Notes

Reaction equation

HRID 2132583 reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:45][N:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([N+:28](=[O:29])[O-:30])[c:7]([NH:9][c:10]2[s:11][c:12]([C:25](=[O:26])[NH2:27])[c:13](-[c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1.[Cl:52][CH2:53][Cl:54].[Na+:44]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([N+:28](=[O:29])[O-:30])[c:7]([NH:9][c:10]2[s:11][c:12]([C:25](=[O:26])[NH2:27])[c:13](-[c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1)[N:49]1[CH2:48][CH2:47][N:46]([CH3:45])[CH2:51][CH2:50]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 86642818HCID 86642818, compound

Product 1

HCID 866428192-[5-(4-Methyl-piperazin-1-ylmethyl)-2-nitro-phenylamino]-4-(2-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid amide

Sources & evidence

ORD record
ord-77e5970653af4026a2ff2aa78328e069
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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