Dimethylformamide → N-[4-chloro-5-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-2-fluorophenyl]-3-(1,1-dimethylprop-2-yn-1-yl)benzamide

HRID 1239767Notes

Reaction equation

HRID 1239767 reaction equation
[CH3:1][C:2]([C:3]#[CH:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:26][c:27]1[c:28]([F:52])[cH:29][c:30]([Cl:51])[c:31]([O:32][c:33]2[c:34]([C:48]#[N:49])[c:35]3[c:36]([n:37][c:38]([NH:40][C:41](=[O:42])[CH:43]4[CH2:44][CH2:45]4)[s:39]3)[cH:46][cH:47]2)[cH:50]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH3:1][C:2]([C:3]#[CH:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:26][c:27]2[c:28]([F:52])[cH:29][c:30]([Cl:51])[c:31]([O:32][c:33]3[c:34]([C:48]#[N:49])[c:35]4[c:36]([n:37][c:38]([NH:40][C:41](=[O:42])[CH:43]5[CH2:44][CH2:45]5)[s:39]4)[cH:46][cH:47]3)[cH:50]2)[cH:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 862274143-(2-Methylbut-3-yn-2-yl)benzoic acidHCID 86644692N-[6-(5-amino-2-chloro-4-fluorophenoxy)-7-cyano-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

Product 1

HCID 86644693N-[4-chloro-5-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-2-fluorophenyl]-3-(1,1-dimethylprop-2-yn-1-yl)benzamide

Sources & evidence

ORD record
ord-979038d4eaa842989f9d898462103fcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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