Chloroform → (+)-N-(7-[1,4]Dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-3-fluoro-benzamide

HRID 138020

Reaction equation

HRID 138020 reaction equation
[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[Cl:67][CH:68]([Cl:69])[Cl:70].[O:44]1[CH:45]([c:50]2[cH:51][cH:52][c:53]([O:60][CH3:61])[c:54]3[n:55][c:56]([NH2:59])[s:57][c:58]23)[CH2:46][O:47][CH2:48][CH2:49]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([F:9])[cH:10]1.[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][c:8]([F:9])[cH:10]1)[NH:59][c:56]1[n:55][c:54]2[c:53]([O:60][CH3:61])[cH:52][cH:51][c:50]([CH:45]3[O:44][CH2:49][CH2:48][O:47][CH2:46]3)[c:58]2[s:57]1

Participants

8

Reactant 7

HCID 6212ChloroformHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 99683-Fluorobenzoic AcidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22507697(+)-7-[1,4)Dioxan-2-yl-4-methoxy-benzothiazol-2-ylamine

Product 1

HCID 22507764(+)-N-(7-[1,4]Dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-3-fluoro-benzamide

Sources & evidence

ORD record
ord-8b953a7a167e494681ee7842f1e41310
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…