Dichloromethane → 3-[[2-[(4-chlorophenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid

HRID 2337855Notes

Reaction equation

HRID 2337855 reaction equation
[CH2:81]1[O:82][CH2:83][CH2:84][CH2:85]1.[Cl:71][c:72]1[cH:73][cH:74][c:75]([N:78]=[C:79]=[O:80])[cH:76][cH:77]1.[Cl:86][CH2:87][Cl:88].[O:20]=[C:21]([O:22][CH2:23][CH3:24])[N:25]=[N:26][C:27]([O:28][CH2:29][CH3:30])=[O:31].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:32]1[c:33]2[c:43]([cH:44][cH:45][cH:46]1)-[c:38]1[c:37]([cH:42][cH:41][cH:40][cH:39]1)[CH:34]2[CH2:35][O:36][C:47](=[O:48])[NH:49][CH:50]([CH2:51][S:52][CH2:53][CH:54]([CH2:55][C:56](=[O:57])[OH:58])[C:59]([c:60]1[cH:61][n:62][cH:63][cH:64][cH:65]1)=[O:66])[C:67](=[O:68])[O:69][CH3:70]>>[C:47](=[O:48])([NH:49][CH:50]([CH2:51][S:52][CH2:53][CH:54]([CH2:55][C:56](=[O:57])[OH:58])[C:59]([c:60]1[cH:61][n:62][cH:63][cH:64][cH:65]1)=[O:66])[C:67](=[O:68])[O:69][CH3:70])[NH:78][c:75]1[cH:74][cH:73][c:72]([Cl:71])[cH:77][cH:76]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 76934-Chlorophenyl IsocyanateHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 178501004HCID 178501004, compound

Product 1

HCID 1785010013-[[2-[(4-chlorophenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid

Sources & evidence

ORD record
ord-0cce4105ecee4e6680ff60ddb20e4416
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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