Acetic Acid → 4-(3-Chlorophenyl)-2-{5-[2-(4-methyl-piperazin-1-yl)-ethyl]-2-nitro-phenylamino}-thiazole-5-carboxylic acid amide

HRID 311391Notes

Reaction equation

HRID 311391 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[CH3:59][C:60](=[O:61])[OH:62].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[c:18]([N+:26](=[O:27])[O-:28])[cH:19][cH:20][c:21]([CH2:23][CH:24]=[O:25])[cH:22]3)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1.[Cl:56][CH2:57][Cl:58].[ClH:50].[Na+:49]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[c:18]([N+:26](=[O:27])[O-:28])[cH:19][cH:20][c:21]([CH2:23][CH2:24][N:33]4[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]4)[cH:22]3)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 866428124-(3-Chloro-phenyl)-2-[2-nitro-5-(2-oxo-ethyl)-phenylamino]-thiazole-5-carboxylic acid amide

Product 1

HCID 866428134-(3-Chlorophenyl)-2-{5-[2-(4-methyl-piperazin-1-yl)-ethyl]-2-nitro-phenylamino}-thiazole-5-carboxylic acid amide

Sources & evidence

ORD record
ord-b032d487acc84b5d9318e73d74abeb7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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