1,4-Dioxane → HCID 58920274, compound

HRID 321561

Reaction equation

HRID 321561 reaction equation
[Cl:26][c:27]1[cH:28][c:29]([N:33]=[C:34]=[S:35])[cH:30][cH:31][cH:32]1.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[n:1]1[c:2]([C:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([NH2:15])[c:16]2[cH:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][cH:20][cH:21]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([C:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([NH:15][C:34]([NH:33][c:29]2[cH:28][c:27]([Cl:26])[cH:32][cH:31][cH:30]2)=[S:35])[c:16]2[cH:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][cH:20][cH:21]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 754493-Chlorophenyl isothiocyanateHCID 66934553HCID 66934553, compound

Product 1

HCID 58920274HCID 58920274, compound

Sources & evidence

ORD record
ord-33cf17ce2a4647fab1473cd0907afd7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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