3-Chloro-4-dimethylamino-benzoic acid → 1-[2-(3-Chloro-4-dimethylamino-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide

HRID 683752Notes

Reaction equation

HRID 683752 reaction equation
[C:1]([O:2][C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][CH:18]2[CH:19]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[O:20][C:21](=[O:23])[CH2:22]2)=[O:32])[CH2:13][CH2:14][CH2:15]1)[CH3:33])=[O:34])([CH3:3])([CH3:4])[CH3:5].[Cl:35][c:36]1[cH:37][c:38]([C:39]([OH:40])=[O:41])[cH:42][cH:43][c:44]1[N:45]([CH3:46])[CH3:47].[O:48]=[C:49]1[O:50][CH:51]([O:52][CH2:53][CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[CH:61]([NH:62][C:63]([CH:64]2[CH2:65][CH2:66][CH2:67][N:68]2[C:69](=[O:70])[CH:71]([NH:72][C:73](=[O:74])[c:75]2[cH:76][cH:77][c:78]([NH2:79])[c:80]([Cl:81])[cH:82]2)[CH3:83])=[O:84])[CH2:85]1>>[C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][CH:18]2[CH:19]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[O:20][C:21](=[O:23])[CH2:22]2)=[O:32])[CH2:13][CH2:14][CH2:15]1)[CH3:33])(=[O:34])[c:38]1[cH:37][c:36]([Cl:35])[c:44]([N:45]([CH3:46])[CH3:47])[cH:43][cH:42]1

Participants

4

Reactant 3

HCID 186236883-Chloro-4-dimethylamino-benzoic acidHCID 229775121-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (5-oxo-2-phenethyloxy-tetrahydro-furan-3-yl)-amideHCID 22977790{2-[2-(2-Benzyloxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl}-carbamic acid tert-butyl ester

Product 1

HCID 229777701-[2-(3-Chloro-4-dimethylamino-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide

Sources & evidence

ORD record
ord-eb5fe898104a4e079863d3f48462b58d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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