Water → 6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(tetrahydro-pyran-2-ylmethyl)-3H-benzoimidazole-5-carboxylic acid (2-vinyloxy-ethoxy)-amide

HRID 1112796Notes

Reaction equation

HRID 1112796 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:29])[c:5]([NH:8][c:9]2[c:10]([C:26](=[O:27])[OH:28])[cH:11][c:12]3[c:13]([n:14][cH:15][n:16]3[CH2:17][CH:18]3[O:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[c:24]2[F:25])[cH:6][cH:7]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:47](=[CH2:48])[O:49][CH2:50][CH2:51][O:52][NH2:53].[OH2:76].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[Br:1][c:2]1[cH:3][c:4]([Cl:29])[c:5]([NH:8][c:9]2[c:10]([C:26](=[O:28])[NH:53][O:52][CH2:51][CH2:50][O:49][CH:47]=[CH2:48])[cH:11][c:12]3[c:13]([n:14][cH:15][n:16]3[CH2:17][CH:18]3[O:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[c:24]2[F:25])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 211141606-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(tetrahydro-pyran-2-ylmethyl)-3H-benzoimidazole-5-carboxylic acidHCID 21867017O-(2-(Vinyloxy)ethyl)hydroxylamine

Product 1

HCID 865905266-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(tetrahydro-pyran-2-ylmethyl)-3H-benzoimidazole-5-carboxylic acid (2-vinyloxy-ethoxy)-amide

Sources & evidence

ORD record
ord-f46c0ec6314c4221b82df5f530654e45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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