Dimethylformamide → 2-chloro-3-(1-cyanocyclopropyl)-N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide

HRID 149258Notes

Reaction equation

HRID 149258 reaction equation
[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1.[NH2:27][c:28]1[cH:29][c:30]([O:31][c:32]2[c:33]([C:47]#[N:48])[c:34]3[c:35]([n:36][c:37]([NH:39][C:40](=[O:41])[CH:42]4[CH2:43][CH2:44]4)[s:38]3)[cH:45][cH:46]2)[cH:49][cH:50][cH:51]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:27][c:28]2[cH:29][c:30]([O:31][c:32]3[c:33]([C:47]#[N:48])[c:34]4[c:35]([n:36][c:37]([NH:39][C:40](=[O:41])[CH:42]5[CH2:43][CH2:44]5)[s:38]4)[cH:45][cH:46]3)[cH:49][cH:50][cH:51]2)[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 668103062-Chloro-3-(1-cyanocyclopropyl)benzoic acidHCID 86644685N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

Product 1

HCID 594544692-chloro-3-(1-cyanocyclopropyl)-N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide

Sources & evidence

ORD record
ord-16653d01504d4c14a095f6d3057c75d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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