Tetrahydrofuran → Cyclohexylcarbamic acid 4-hydroxymethyl-5-oxo-2,3,4,5-tetrahydro-benzo[b]thiepin-4-ylmethyl ester

HRID 1219802Notes

Reaction equation

HRID 1219802 reaction equation
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[O:24]=[C:25]=[N:26][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH:1][CH2:2][C:3]1([CH2:15][OH:16])[C:4](=[O:14])[c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[S:7][CH2:8][CH2:9]1>>[O:1]([CH2:2][C:3]1([CH2:15][OH:16])[C:4](=[O:14])[c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[S:7][CH2:8][CH2:9]1)[C:25](=[O:24])[NH:26][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 18502Cyclohexyl isocyanateHCID 670733654,4-bis(hydroxymethyl)-3,4-dihydro-2H-benzo[b]thiepin-5-one

Product 1

HCID 11964748Cyclohexylcarbamic acid 4-hydroxymethyl-5-oxo-2,3,4,5-tetrahydro-benzo[b]thiepin-4-ylmethyl ester

Sources & evidence

ORD record
ord-765af38e75fe41e8a053142fc647bdd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…