1-Naphthylamine → 3-(Naphthalen-1-ylcarbamoyl)-hexahydro-pyrrolo[3,2-b]pyrrole-1,4-dicarboxylic acid 1-benzyl ester 4-tert-butyl ester

HRID 663513Notes

Reaction equation

HRID 663513 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]2[N:12]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:13][CH:14]([C:16](=[O:17])[OH:18])[CH:15]12.[CH3:64][N:65]1[CH2:66][CH2:67][CH2:68][C:69]1=[O:70].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[NH2:53][c:54]1[cH:55][cH:56][cH:57][c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]12.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]2[N:12]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:13][CH:14]([C:16](=[O:18])[NH:53][c:54]3[cH:55][cH:56][cH:57][c:58]4[cH:59][cH:60][cH:61][cH:62][c:63]34)[CH:15]12

Participants

7

Reactant 6

HCID 86401-NaphthylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67216716Hexahydro-pyrrolo[3,2-b]pyrrole-1,3,4-tricarboxylic acid 1-benzyl ester 4-tert-butyl ester

Product 1

HCID 672810263-(Naphthalen-1-ylcarbamoyl)-hexahydro-pyrrolo[3,2-b]pyrrole-1,4-dicarboxylic acid 1-benzyl ester 4-tert-butyl ester

Sources & evidence

ORD record
ord-c3f3a8c451c64dfc90d3ed7a73b06823
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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