Tetrahydrofuran → 5-chloro-2-(2-chloro-4-iodo-phenylamino)-N-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-3,4-difluoro-benzamide

HRID 2343113Notes

Reaction equation

HRID 2343113 reaction equation
[CH3:31][C:32]1([CH3:40])[O:33][CH2:34][CH:35]([CH2:37][O:38][NH2:39])[O:36]1.[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[Cl:1][c:2]1[c:3]([F:21])[c:4]([F:20])[c:5]([NH:11][c:12]2[c:13]([Cl:19])[cH:14][c:15]([I:18])[cH:16][cH:17]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1.[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][P+:60]([N:61]([CH3:62])[CH3:63])([N:64]([CH3:65])[CH3:66])[N:67]([CH3:68])[CH3:69])[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[Cl:1][c:2]1[c:3]([F:21])[c:4]([F:20])[c:5]([NH:11][c:12]2[c:13]([Cl:19])[cH:14][c:15]([I:18])[cH:16][cH:17]2)[c:6]([C:7](=[O:9])[NH:39][O:38][CH2:37][CH:35]2[CH2:34][O:33][C:32]([CH3:31])([CH3:40])[O:36]2)[cH:10]1

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamineHCID 222859232-(2-Chloro4-iodophenylamino)-5-chloro-3,4-difluorobenzoic acid

Product 1

HCID 222864765-chloro-2-(2-chloro-4-iodo-phenylamino)-N-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-3,4-difluoro-benzamide

Sources & evidence

ORD record
ord-8c20e30aa9c64f29936b58f0c0d655ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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