Acetonitrile → Hydrochloric Acid

HRID 2333893Notes

Reaction equation

HRID 2333893 reaction equation
[CH3:37][C:38]#[N:39].[Cl:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2.[N:20]1([CH2:26][CH2:27][CH:28]2[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][NH2:36])[CH2:32][CH2:33]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1>>[C:2](=[O:3])([N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[NH:36][CH2:35][CH2:34][N:31]1[CH2:30][CH2:29][CH:28]([CH2:27][CH2:26][N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[CH2:33][CH2:32]1.[ClH:1]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 1104396211-chlorocarbonyl-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-oneHCID 19845988HCID 19845988, compound

Product 2

HCID 313Hydrochloric AcidHCID 14210057HCID 14210057, compound

Sources & evidence

ORD record
ord-53a7c333803d4cefbd575874fd63062a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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