Hydrochloric Acid → HCID 20341463, compound

HRID 291288Notes

Reaction equation

HRID 291288 reaction equation
[C:10](#[N:11])[CH:12]([c:13]1[cH:14][c:15]([O:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17][cH:18]1)[OH:26].[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[n:3][s:4][n:5][c:6]([Cl:9])[c:7]1=[O:8].[ClH:34].[OH2:48]>>[c:2]1([O:26][CH:12]([C:10]#[N:11])[c:13]2[cH:14][c:15]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:16][cH:17][cH:18]2)[n:3][s:4][n:5][c:6]([Cl:9])[c:7]1=[O:8]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 8471Triethylamine2×HCID 8857Ethyl AcetateHCID 93218Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-HCID 3540263,5-Dichloro-4H-1,2,6-thiadiazin-4-one

Product 1

HCID 20341463HCID 20341463, compound

Sources & evidence

ORD record
ord-4ba13cd07b2446368a862db77db66a0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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