Water → N-[4-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-3-fluorophenyl]-N'-phenylcyclopropane-1,1-dicarboxamide

HRID 1137181Notes

Reaction equation

HRID 1137181 reaction equation
[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:56][N:57]([CH3:58])[C:59](=[O:60])[CH3:61].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[NH2:27][c:28]1[cH:29][c:30]([F:50])[c:31]([O:32][c:33]2[cH:34][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:48][cH:49]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:62].[c:1]1([NH:7][C:8](=[O:9])[C:10]2([C:13](=[O:14])[OH:15])[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][C:8](=[O:9])[C:10]2([C:13](=[O:15])[NH:27][c:28]3[cH:29][c:30]([F:50])[c:31]([O:32][c:33]4[cH:34][c:35]5[c:36]([n:37][c:38]([NH:40][C:41](=[O:42])[CH:43]6[CH2:44][CH2:45]6)[s:39]5)[cH:46][cH:47]4)[cH:48][cH:49]3)[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 31374DimethylacetamideHCID 65578Oxalyl chlorideHCID 190968711-(Phenylcarbamoyl)cyclopropanecarboxylic acidHCID 58158640N-[6-(4-amino-2-fluorophenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

Product 1

HCID 86651398N-[4-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-3-fluorophenyl]-N'-phenylcyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-edf03f32cb5443cc9fad1b813e110054
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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