Hydrochloric Acid → HCID 19738055, compound

Reaction equation

[CH3:31][S:32]([CH3:33])=[O:34].[Cl:1][c:2]1[c:3]([CH:9]([C:10]#[N:11])[CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:22][CH2:23][n:24]1[n:25][cH:26][n:27][cH:28]1.[ClH:21].[Na+:30].[OH-:29]>>[Cl:1][c:2]1[c:3]([C:9]([C:10]#[N:11])([CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:23][n:24]2[n:25][cH:26][n:27][cH:28]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 679Dimethyl Sulfoxide

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 37438821-Chloromethyl-1H-1,2,4-triazole

HCID 19738030HCID 19738030, compound

Product 1

HCID 19738055HCID 19738055, compound

Sources & evidence

ORD record: ord-4d4bdf91b7814b1baa82741a064a7c71
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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