Water → Hydrochloric Acid

HRID 157607

Reaction equation

HRID 157607 reaction equation
[CH3:37][C:38]#[N:39].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11].[N:15]1([c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:16][CH2:17][CH:18]([NH2:21])[CH2:19][CH2:20]1.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:14]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11])[NH:21][CH:18]1[CH2:17][CH2:16][N:15]([c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:20][CH2:19]1.[ClH:1]

Participants

8

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 101979341-(Pyridin-2-yl)piperidin-4-amineHCID 714395991-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

Product 2

HCID 313Hydrochloric AcidHCID 178436427HCID 178436427, compound

Sources & evidence

ORD record
ord-a6a01f0f446b464e96f03456b1869a47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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