Water → HCID 44221300, compound

HRID 1222039Notes

Reaction equation

HRID 1222039 reaction equation
[CH2:14]([CH3:15])[NH:16][CH2:17][CH3:18].[CH2:20]1[O:21][CH2:22][CH2:23][CH2:24]1.[N:1](=[C:2]=[S:3])[c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][cH:12][cH:13]1.[OH2:19]>>[NH:1]([C:2](=[S:3])[N:16]([CH2:14][CH3:15])[CH2:17][CH3:18])[c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][cH:12][cH:13]1

Participants

5

Reactant 4

HCID 962WaterHCID 8021DiethylamineHCID 8028TetrahydrofuranHCID 85243Benzoic acid, 2-isothiocyanato-, methyl ester

Product 1

HCID 44221300HCID 44221300, compound

Sources & evidence

ORD record
ord-35e2a2b710f94eb1ad92b1ef0208bd15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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