EVODEX Logo

EVODEX.1-R3377

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21].[C:1]([C:2](=[O:3])[O:4][C:5]([C:6]([C@:7]([N:8]([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[C:5]([C:6]([C@:7]([N:8]([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32])([S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21])([H:33])[H:34].[H][O:4][C:2]([C:1]([H:35])([H:36])[H:37])=[O:3]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
149983 O-acetyl-L-homoserine + thioglycolate ethyl ester = S-ethoxycarbonyl-L-homocysteine + acetate False Lysinibacillus sphaericus nan 2.5.1.48

Derived Partial Reactions

EVODEX.1-P2638

[H][S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21].[H]C([H])([H])C(=O)O[C:5]([C:6]([C@:7]([N:8]([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32])([H:33])[H:34]>>[C:5]([C:6]([C@:7]([N:8]([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32])([S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21])([H:33])[H:34]

[H][S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21].[H]C([H])([H])C(=O)O[C:5]([C:6]([C@:7]([N:8]([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32])([H:33])[H:34]>>[C:5]([C:6]([C@:7]([N:8]([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32])([S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21])([H:33])[H:34]

EVODEX.1-P2639

[H][S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21]

[H][S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:18][C:17]([C:15]([O:14][C:13]([C:12]([H:24])([H:25])[H:26])([H:22])[H:23])=[O:16])([H:20])[H:21]