Hydrochloric Acid → 2-{6-[(tert-butyloxycarbonylamino)acetylamino]benzothiazol-2(3H)-ylidene}-2-(4-trifluoromethylpyrimidin-2-yl)acetamide

HRID 124174Notes

Reaction equation

HRID 124174 reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:12])[OH:13].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[ClH:1].[NH2:45][c:46]1[cH:47][c:48]2[c:49]([cH:67][cH:68]1)[NH:50][C:51](=[C:53]([C:54](=[O:55])[NH2:56])[c:57]1[n:58][cH:59][cH:60][c:61]([C:63]([F:64])([F:65])[F:66])[n:62]1)[S:52]2.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:13])[NH:45][c:46]1[cH:47][c:48]2[c:49]([cH:67][cH:68]1)[NH:50][C:51](=[C:53]([C:54](=[O:55])[NH2:56])[c:57]1[n:58][cH:59][cH:60][c:61]([C:63]([F:64])([F:65])[F:66])[n:62]1)[S:52]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 78288N-(tert-butoxycarbonyl)glycineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 665937372-[6-aminobenzothiazol-2(3H)-ylidene]-2-(4-trifluoromethylpyrimidin-2-yl)acetamide

Product 1

HCID 665933642-{6-[(tert-butyloxycarbonylamino)acetylamino]benzothiazol-2(3H)-ylidene}-2-(4-trifluoromethylpyrimidin-2-yl)acetamide

Sources & evidence

ORD record
ord-1a15ee20cdfe45d68624e22d41f622bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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