Dicyclohexylcarbodiimide → [5-(3-Benzofuran-2-yl-phenyl)-2-methyl-2H-pyrazol-3-yl)-[4-(2-hydroxy-ethyl)-[1,4]diazepan-1-yl]-methanone

HRID 98128

Reaction equation

HRID 98128 reaction equation
[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[CH:35]1([N:36]=[C:37]=[N:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[N:25]1([CH2:32][CH2:33][OH:34])[CH2:26][CH2:27][NH:28][CH2:29][CH2:30][CH2:31]1.[o:1]1[c:2](-[c:10]2[c:11](-[c:16]3[cH:17][c:18]([C:22](=[O:23])[OH:24])[n:19]([CH3:21])[n:20]3)[cH:12][cH:13][cH:14][cH:15]2)[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2](-[c:10]2[c:11](-[c:16]3[cH:17][c:18]([C:22](=[O:24])[N:28]4[CH2:27][CH2:26][N:25]([CH2:32][CH2:33][OH:34])[CH2:31][CH2:30][CH2:29]4)[n:19]([CH3:21])[n:20]3)[cH:12][cH:13][cH:14][cH:15]2)[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

5

Reactant 4

HCID 10868DicyclohexylcarbodiimideHCID 142844-(Dimethylamino)pyridineHCID 27365502-(1,4-Diazepan-1-yl)ethan-1-olHCID 673151845-(3-benzofuran-2-yl-phenyl)-2-methyl-2H-pyrazole-3-carboxylic acid

Product 1

HCID 68725339[5-(3-Benzofuran-2-yl-phenyl)-2-methyl-2H-pyrazol-3-yl)-[4-(2-hydroxy-ethyl)-[1,4]diazepan-1-yl]-methanone

Sources & evidence

ORD record
ord-a2b3cab515774beaad0bc3fd3ef5d971
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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