1,2-Dichloroethane → N-(7'-bromo-4'-fluoro-2'-methoxy-5,6-dihydrospiro[[1,3]oxazine-4,9'-xanthene]-2-yl)-4-nitrobenzamide

HRID 302410Notes

Reaction equation

HRID 302410 reaction equation
[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[N:32]=[C:33]=[S:34])[cH:35][cH:36]1.[NH2:1][C:2]1([CH2:20][CH2:21][OH:22])[c:3]2[cH:4][c:5]([Br:19])[cH:6][cH:7][c:8]2[O:9][c:10]2[c:11]([F:18])[cH:12][c:13]([O:16][CH3:17])[cH:14][c:15]21.[OH2:41]>>[N:1]1=[C:33]([NH:32][C:30]([c:29]2[cH:28][cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:36][cH:35]2)=[O:31])[O:22][CH2:21][CH2:20][C:2]12[c:3]1[cH:4][c:5]([Br:19])[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11]([F:18])[cH:12][c:13]([O:16][CH3:17])[cH:14][c:15]12

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 962WaterHCID 8028TetrahydrofuranHCID 1413984-Nitrobenzoyl isothiocyanateHCID 673827982-(9-amino-7-bromo-4-fluoro-2-methoxy-9H-xanthen-9-yl)ethanol

Product 1

HCID 67439840N-(7'-bromo-4'-fluoro-2'-methoxy-5,6-dihydrospiro[[1,3]oxazine-4,9'-xanthene]-2-yl)-4-nitrobenzamide

Sources & evidence

ORD record
ord-4f018a5a4e4a44d9bfdb493400126339
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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