Carbonate Ion → N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-thiomorpholin-4-yl-isonicotinamide

HRID 123542

Reaction equation

HRID 123542 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:25][cH:26][n:27]1.[C:34](=[O:35])([O-:36])[O-:37].[CH2:28]1[CH2:29][S:30][CH2:31][CH2:32][NH:33]1.[Cs+:38].[Cs+:39]>>[c:2]1([N:33]2[CH2:28][CH2:29][S:30][CH2:31][CH2:32]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:25][cH:26][n:27]1

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 67164ThiomorpholineHCID 104967Cesium cation2×HCID 229934292-bromo-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isonicotinamide

Product 1

HCID 22993436N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-thiomorpholin-4-yl-isonicotinamide

Sources & evidence

ORD record
ord-64e2a0cebf8f4394aa7ff170aeecbbd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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