Water → 1-(1-Adamantyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea

HRID 89128

Reaction equation

[C:16]12([N:26]=[C:27]=[O:28])[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]1)[CH2:24]3)[CH2:25]2.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]2)[cH:14][cH:15]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][CH2:9][CH:10]([NH:13][C:27]([NH:26][C:16]34[CH2:17][CH:18]5[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]3)[CH2:24]5)[CH2:25]4)=[O:28])[CH2:11][CH2:12]2)[cH:14][cH:15]1

Participants

Reactant 5

HCID 962Water

HCID 6228Dimethylformamide

HCID 8471Triethylamine

HCID 20599951-Isocyanatoadamantane

HCID 16756168(1R,4r)-4-(4-fluorophenoxy)cyclohexan-1-amine

Product 1

HCID 115961761-(1-Adamantyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea

Sources & evidence

ORD record: ord-35e02666e4014e6aa7d66df0ea4d2f44
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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