Acetic Acid → 2'-chloro-9'-cyclopentyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one

HRID 171434Notes

Reaction equation

HRID 171434 reaction equation
[CH3:1][O:2][C:3](=[O:4])[C:5]1([CH2:8][N:9]([CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[c:15]2[n:16][c:17]([Cl:22])[n:18][cH:19][c:20]2[NH2:21])[CH2:6][CH2:7]1.[CH3:23][CH2:24][OH:25].[CH3:26][C:27](=[O:28])[OH:29]>>[O:2]=[C:3]1[C:5]2([CH2:6][CH2:7]2)[CH2:8][N:9]([CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[c:15]2[n:16][c:17]([Cl:22])[n:18][cH:19][c:20]2[NH:21]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 866234201-{[(5-Amino-2-chloro-pyrimidin-4-yl)-cyclopentyl-amino]-methyl}-cyclopropanecarboxylic acid methyl ester

Product 1

HCID 579698732'-chloro-9'-cyclopentyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one

Sources & evidence

ORD record
ord-0d630a895ea241f1b02d47487f197f32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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