Dimethylformamide → Benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-3-hydroxypyrrolidine-1-carboxylate

HRID 136558Notes

Reaction equation

HRID 136558 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:17](=[O:18])[OH:19])[CH:13]([OH:16])[CH2:14][CH2:15]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[F:53][C:54]([F:55])([F:56])[C:57]([OH:58])=[O:59].[NH2:60][c:61]1[s:62][cH:63][c:64](-[c:66]2[cH:67][cH:68][c:69]([C:70](=[O:71])[NH:72][CH:73]3[CH2:74][CH2:75]3)[cH:76][cH:77]2)[n:65]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:17](=[O:19])[NH:60][c:61]2[s:62][cH:63][c:64](-[c:66]3[cH:67][cH:68][c:69]([C:70](=[O:71])[NH:72][CH:73]4[CH2:74][CH2:75]4)[cH:76][cH:77]3)[n:65]2)[CH:13]([OH:16])[CH2:14][CH2:15]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5625511-[(Benzyloxy)carbonyl]-3-hydroxypyrrolidine-2-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592287924-(2-Amino-thiazol-4-yl)-N-cyclopropyl-benzamide

Product 1

HCID 76582844Benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-3-hydroxypyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-49837aba4ce74ef39cb4d43a29d766fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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