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

HRID 294403Notes

Reaction equation

HRID 294403 reaction equation
[CH:46]([OH:47])([CH3:48])[CH3:49].[Cl:50][CH2:51][Cl:52].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N:17]2[C:18](=[O:34])[O:19][CH:20]([c:22]3[cH:23][c:24]4[c:25]([cH:32][cH:33]3)[O:26][C:27]([CH3:30])([CH3:31])[O:28][CH2:29]4)[CH2:21]2)[cH:35][cH:36]1.[O:37]=[C:38]=[N:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N:17]2[C:18](=[O:34])[O:19][CH:20]([c:22]3[cH:23][c:24]4[c:25]([cH:32][cH:33]3)[O:26][C:27]([CH3:30])([CH3:31])[O:28][CH2:29]4)[CH2:21]2)[cH:35][cH:36]1)[C:38](=[O:37])[NH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 7672Phenyl isocyanateHCID 693278503-[6-[2-[(4-aminophenyl)methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

Product 1

HCID 771956601-[4-[2-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]-3-phenylurea

Sources & evidence

ORD record
ord-849fcf375f6240e39c3254ef3cd1517a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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