1,2-Dichloroethane → N-(3-(1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)-2,2-difluorocyclopropanecarboxamide

HRID 1148576Notes

Reaction equation

HRID 1148576 reaction equation
[C:23](=[O:24])([OH:25])[O-:26].[CH2:19]([Cl:20])[CH2:21][Cl:22].[F:1][C:2]1([F:8])[CH:3]([C:5](=[O:6])[OH:7])[CH2:4]1.[Na+:27].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:9][n:10]1[c:11]2[c:12]([cH:13][cH:14][cH:15][cH:16]2)[n:17][n:18]1.[nH:28]1[c:29](-[c:37]2[n:38][n:39]([CH:47]3[O:48][CH2:49][CH2:50][CH2:51][CH2:52]3)[c:40]3[cH:41][cH:42][c:43]([NH2:46])[cH:44][c:45]23)[n:30][c:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2>>[F:1][C:2]1([F:8])[CH:3]([C:5](=[O:6])[NH:46][c:43]2[cH:42][cH:41][c:40]3[n:39]([CH:47]4[O:48][CH2:49][CH2:50][CH2:51][CH2:52]4)[n:38][c:37](-[c:29]4[n:28][c:32]5[c:31]([nH:30]4)[cH:36][cH:35][cH:34][cH:33]5)[c:45]3[cH:44]2)[CH2:4]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 27828232,2-Difluorocyclopropane-1-carboxylic acidHCID 1363522453-(1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine

Product 1

HCID 136352252N-(3-(1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)-2,2-difluorocyclopropanecarboxamide

Sources & evidence

ORD record
ord-3dae85eabb5f43aa8d9baf2ff5c4bd7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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