Hydrochloric Acid → N-[6-(3-{[3-(1-cyanocyclopropyl)benzoyl]amino}phenoxy)-1,3-benzothiazol-2-yl]-1,3-oxazole-4-carboxamide

HRID 2160636Notes

Reaction equation

HRID 2160636 reaction equation
[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[CH3:69][OH:70].[ClH:40].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]4([C:29]#[N:30])[CH2:27][CH2:28]4)[cH:23][cH:24][cH:25]3)=[O:31])[cH:15][cH:16][cH:17]1)[cH:10]2.[Na+:53].[OH-:52].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[o:32]1[cH:33][n:34][c:35]([C:37](=[O:38])[OH:39])[cH:36]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]4([C:29]#[N:30])[CH2:27][CH2:28]4)[cH:23][cH:24][cH:25]3)=[O:31])[cH:15][cH:16][cH:17]1)[cH:10]2)[C:37]([c:35]1[n:34][cH:33][o:32][cH:36]1)=[O:38]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1049PyridineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 142814301,3-Oxazole-4-carboxylic acidHCID 86655364N-{3-[(2-amino-1,3-benzothiazol-6-yl)oxy]phenyl}-3-(1-cyanocyclopropyl)benzamide

Product 1

HCID 58349056N-[6-(3-{[3-(1-cyanocyclopropyl)benzoyl]amino}phenoxy)-1,3-benzothiazol-2-yl]-1,3-oxazole-4-carboxamide

Sources & evidence

ORD record
ord-47f563dfddda45c4a6dbe9b7b91f2eec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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