Water → 1-(Cyclohexylmethyl)-2-(1,1-dimethylpropyl)-5-(morpholin-4-ylcarbonyl)-1H-benzimidazole

HRID 113349Notes

Reaction equation

HRID 113349 reaction equation
[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH:16]1([CH2:22][n:23]2[c:24]([C:35]([CH2:36][CH3:37])([CH3:38])[CH3:39])[n:25][c:26]3[c:27]2[cH:28][cH:29][c:30]([C:32](=[O:33])[OH:34])[cH:31]3)[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1.[CH:7]([N:8]([CH:9]([CH3:10])[CH3:11])[CH2:12][CH3:13])([CH3:14])[CH3:15].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[C:32]([c:30]1[cH:29][cH:28][c:27]2[n:23]([CH2:22][CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[c:24]([C:35]([CH2:36][CH3:37])([CH3:38])[CH3:39])[n:25][c:26]2[cH:31]1)=[O:33]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8083MorpholineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 576362581-(cyclohexylmethyl)-2-(1,1-dimethylpropyl)-1H-benzimidazole-5-carboxylic acid

Product 1

HCID 114409041-(Cyclohexylmethyl)-2-(1,1-dimethylpropyl)-5-(morpholin-4-ylcarbonyl)-1H-benzimidazole

Sources & evidence

ORD record
ord-730ce8b232ba4b2d85614883df7529e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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