Dichloromethane → 2,6-Dimethyl-benzoic acid 4-carboxy-3-({6-[(naphthalene-2-carbonyl)-amino]-5-oxo-1,2,3,5,6,7,10,10a-octahydro-pyrrolo[1,2-a]azocine-3-carbonyl}-amino)-2-oxo-butyl ester

HRID 192484Notes

Reaction equation

HRID 192484 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][CH:9]([C:10]([CH2:11][O:12][C:13]([c:14]1[c:15]([CH3:21])[cH:16][cH:17][cH:18][c:19]1[CH3:20])=[O:22])=[O:23])[NH:24][C:25](=[O:26])[CH:27]1[CH2:28][CH2:29][CH:30]2[N:31]1[C:32](=[O:51])[CH:33]([NH:38][C:39](=[O:40])[c:41]1[cH:42][c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]3[cH:49][cH:50]1)[CH2:34][CH:35]=[CH:36][CH2:37]2.[Cl:59][CH2:60][Cl:61].[OH:52][C:53]([C:54]([F:55])([F:56])[F:57])=[O:58]>>[O:5]=[C:6]([OH:7])[CH2:8][CH:9]([C:10]([CH2:11][O:12][C:13]([c:14]1[c:15]([CH3:21])[cH:16][cH:17][cH:18][c:19]1[CH3:20])=[O:22])=[O:23])[NH:24][C:25](=[O:26])[CH:27]1[CH2:28][CH2:29][CH:30]2[N:31]1[C:32](=[O:51])[CH:33]([NH:38][C:39](=[O:40])[c:41]1[cH:42][c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]3[cH:49][cH:50]1)[CH2:34][CH:35]=[CH:36][CH2:37]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 69584372HCID 69584372, compound

Product 1

HCID 695844402,6-Dimethyl-benzoic acid 4-carboxy-3-({6-[(naphthalene-2-carbonyl)-amino]-5-oxo-1,2,3,5,6,7,10,10a-octahydro-pyrrolo[1,2-a]azocine-3-carbonyl}-amino)-2-oxo-butyl ester

Sources & evidence

ORD record
ord-08263dc59da2489a89faf03ae97fefe1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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