Isopropanol → HCID 57940429, compound

HRID 117377Notes

Reaction equation

[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[CH:41]([OH:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12].[NH2:20][CH:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:25][CH2:26]1>>[c:2]1([NH:20][CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:25][CH2:26]2)[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12]

Participants

Reactant 4

HCID 3776Isopropanol

HCID 81531Diisopropylethylamine

HCID 100867Ethyl 4-amino-1-piperidinecarboxylate

HCID 579405262-Chloro-9-cyclopentyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 57940429HCID 57940429, compound

Sources & evidence

ORD record: ord-4311cc9f7b414261bc933f1094ffb8af
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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