Sodium ion → N-(6-(6-chloro-5-(4-methoxyphenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)cyclohexanecarboxamide

HRID 1130013Notes

Reaction equation

HRID 1130013 reaction equation
[Br:7][c:8]1[cH:9][c:10]([NH:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:11]([Cl:14])[n:12][cH:13]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][c:37]3[c:38]([n:39][c:40]([NH:42][C:43](=[O:44])[CH:45]4[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]4)[s:41]3)[cH:51][cH:52]2)[O:53]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[c:8]1(-[c:35]2[cH:36][c:37]3[c:38]([n:39][c:40]([NH:42][C:43](=[O:44])[CH:45]4[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]4)[s:41]3)[cH:51][cH:52]2)[cH:9][c:10]([NH:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:11]([Cl:14])[n:12][cH:13]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 51355175HCID 51355175, compoundHCID 86628001N-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)cyclohexanecarboxamide

Product 1

HCID 57585067N-(6-(6-chloro-5-(4-methoxyphenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)cyclohexanecarboxamide

Sources & evidence

ORD record
ord-a802b5ab43ee4d8d8adbb75c099e304b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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