Acetonitrile → 4-[[[2-[2-[(Diethylamino)methyl]-piperidin-1-yl]ethyl]amino]carbonyl]-1,3-dimethyl-1,4,9,10-tetrahydropyrazolo[4,3-e]pyrido[2,3-b][1,4]diazepin-10-one

HRID 114042Notes

Reaction equation

HRID 114042 reaction equation
[CH2:21]([CH3:22])[N:23]([CH2:24][CH3:25])[CH2:26][CH:27]1[N:28]([CH2:33][CH2:34][NH2:35])[CH2:29][CH2:30][CH2:31][CH2:32]1.[CH3:36][C:37]#[N:38].[Cl:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([n:17][cH:18][cH:19][cH:20]2)[NH:7][C:8](=[O:16])[c:9]2[c:10]1[c:11]([CH3:15])[n:12][n:13]2[CH3:14]>>[C:2](=[O:3])([N:4]1[c:5]2[c:6]([n:17][cH:18][cH:19][cH:20]2)[NH:7][C:8](=[O:16])[c:9]2[c:10]1[c:11]([CH3:15])[n:12][n:13]2[CH3:14])[NH:35][CH2:34][CH2:33][N:28]1[CH:27]([CH2:26][N:23]([CH2:21][CH3:22])[CH2:24][CH3:25])[CH2:32][CH2:31][CH2:30][CH2:29]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 142100002-[2-[(Diethylamino)methyl]piperidin-1-yl]ethanamineHCID 198460214-(Chlorocarbonyl)-1,3-dimethyl-1,4,9,10-tetrahydro-pyrazolo[4,3-e]pyrido[2,3-b][1,4]diazepin-10-one

Product 1

HCID 142100854-[[[2-[2-[(Diethylamino)methyl]-piperidin-1-yl]ethyl]amino]carbonyl]-1,3-dimethyl-1,4,9,10-tetrahydropyrazolo[4,3-e]pyrido[2,3-b][1,4]diazepin-10-one

Sources & evidence

ORD record
ord-a7138497b0d545c7a4f75b83e0cf0c6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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