Isopropanol → 1-cyclohexyl-3-[3-[2-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]urea

HRID 177480Notes

Reaction equation

HRID 177480 reaction equation
[CH:46]([OH:47])([CH3:48])[CH3:49].[Cl:50][CH2:51][Cl:52].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:33])[O:18][CH:19]([c:21]3[cH:22][c:23]4[c:24]([cH:31][cH:32]3)[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]4)[CH2:20]2)[cH:34][cH:35][cH:36]1.[O:37]=[C:38]=[N:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:33])[O:18][CH:19]([c:21]3[cH:22][c:23]4[c:24]([cH:31][cH:32]3)[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]4)[CH2:20]2)[cH:34][cH:35][cH:36]1)[C:38](=[O:37])[NH:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 18502Cyclohexyl isocyanateHCID 178431323HCID 178431323, compound

Product 1

HCID 691784441-cyclohexyl-3-[3-[2-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]urea

Sources & evidence

ORD record
ord-0a00dedda7d645f1ac936486e8ebe808
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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