Dimethylformamide → Tert-butyl 2-[[4-[4-[(5-chloro-1,3-benzothiazole-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoate

HRID 678602Notes

Reaction equation

HRID 678602 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20]([CH:21]([CH:22]([CH3:23])[CH3:24])[NH:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32](-[c:35]2[cH:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]2)[cH:33][cH:34]1)=[O:42].[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[Cl:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8][c:9]([C:11](=[O:12])[OH:13])[s:10]2)[cH:14]1.[Na:1].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][P+:52]([N:53]([CH3:54])[CH3:55])([N:56]([CH3:57])[CH3:58])[N:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[Cl:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8][c:9]([C:11](=[O:13])[NH:41][c:38]3[cH:37][cH:36][c:35](-[c:32]4[cH:31][cH:30][c:29]([S:26]([NH:25][CH:21]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:42])[CH:22]([CH3:23])[CH3:24])(=[O:27])=[O:28])[cH:34][cH:33]4)[cH:40][cH:39]3)[s:10]2)[cH:14]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 5360545SodiumHCID 265968745-Chloro-1,3-benzothiazole-2-carboxylic acidHCID 68711776Tert-butyl 2-[[4-(4-aminophenyl)phenyl]sulfonylamino]-3-methylbutanoate

Product 1

HCID 68713744Tert-butyl 2-[[4-[4-[(5-chloro-1,3-benzothiazole-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoate

Sources & evidence

ORD record
ord-348158d5b0564dacb1122e2986f16a94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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