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

HRID 189030Notes

Reaction equation

HRID 189030 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32]([NH:33][CH:34]1[CH2:35][CH2:36][CH:37]([NH2:40])[CH2:38][CH2:39]1)=[O:41].[CH:1]1([CH2:4][O:5][c:6]2[c:7](-[c:15]3[c:16]4[c:17]([n:18][cH:19][n:20]3)[c:21]([C:24](=[O:25])[OH:26])[cH:22][nH:23]4)[c:8]3[c:9]([cH:13][cH:14]2)[O:10][CH2:11][O:12]3)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][O:5][c:6]2[c:7](-[c:15]3[c:16]4[c:17]([n:18][cH:19][n:20]3)[c:21]([C:24](=[O:25])[NH:40][CH:37]3[CH2:36][CH2:35][CH:34]([NH:33][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:41])[CH2:39][CH2:38]3)[cH:22][nH:23]4)[c:8]3[c:9]([cH:13][cH:14]2)[O:10][CH2:11][O:12]3)[CH2:2][CH2:3]1

Participants

3

Reactant 2

HCID 2756050Cis tert-Butyl 4-aminocyclohexylcarbamateHCID 668660154-(5-Cyclopropylmethoxy-1,3-benzodioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

Product 1

HCID 66867623trans-(4-{[4-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]-amino}-cyclohexyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-dd7a65ec6e3548d0b0fa1698fa254ff9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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