Cis tert-Butyl 4-aminocyclohexylcarbamate → trans-[4-({1-[4-(5-Cyclobutylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-methanoyl}-amino)-cyclohexyl]-carbamic acid tert-butyl ester

HRID 689024Notes

Reaction equation

HRID 689024 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33]([NH:34][CH:35]1[CH2:36][CH2:37][CH:38]([NH2:41])[CH2:39][CH2:40]1)=[O:42].[CH:1]1([CH2:5][O:6][c:7]2[c:8](-[c:16]3[c:17]4[c:18]([n:19][cH:20][n:21]3)[c:22]([C:25](=[O:26])[OH:27])[cH:23][nH:24]4)[c:9]3[c:10]([cH:14][cH:15]2)[O:11][CH2:12][O:13]3)[CH2:2][CH2:3][CH2:4]1>>[CH:1]1([CH2:5][O:6][c:7]2[c:8](-[c:16]3[c:17]4[c:18]([n:19][cH:20][n:21]3)[c:22]([C:25](=[O:27])[NH:41][CH:38]3[CH2:37][CH2:36][CH:35]([NH:34][C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:42])[CH2:40][CH2:39]3)[cH:23][nH:24]4)[c:9]3[c:10]([cH:14][cH:15]2)[O:11][CH2:12][O:13]3)[CH2:2][CH2:3][CH2:4]1

Participants

3

Reactant 2

HCID 2756050Cis tert-Butyl 4-aminocyclohexylcarbamateHCID 668668184-(5-Cyclobutylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

Product 1

HCID 66867363trans-[4-({1-[4-(5-Cyclobutylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-methanoyl}-amino)-cyclohexyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-aa81c942fa2b49a18a5ac3fb06a71f43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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