Dimethylformamide → 2-{4-[4-(4-Chloro-benzoylamino)-phenyl]-thiazol-2-ylcarbamoyl}-pyrrolidine-1-carboxylic acid benzyl ester

HRID 163441Notes

Reaction equation

HRID 163441 reaction equation
[CH2:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[O:51][C:52](=[O:53])[N:54]1[CH:55]([C:59]([NH:60][c:61]2[s:62][cH:63][c:64](-[c:66]3[cH:67][cH:68][c:69]([NH2:72])[cH:70][cH:71]3)[n:65]2)=[O:73])[CH2:56][CH2:57][CH2:58]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1.[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[NH:72][c:69]1[cH:68][cH:67][c:66](-[c:64]2[cH:63][s:62][c:61]([NH:60][C:59]([CH:55]3[N:54]([C:52]([O:51][CH2:44][c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)=[O:53])[CH2:58][CH2:57][CH2:56]3)=[O:73])[n:65]2)[cH:71][cH:70]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 63184-Chlorobenzoic AcidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57849733Benzyl 2-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Product 1

HCID 765827522-{4-[4-(4-Chloro-benzoylamino)-phenyl]-thiazol-2-ylcarbamoyl}-pyrrolidine-1-carboxylic acid benzyl ester

Sources & evidence

ORD record
ord-56a2bede8ee6457ab0fa984ec2811939
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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