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EVODEX.1-R6207

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][O:23][C:22]([H:47])([H:48])[H:49]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:23][C:22]([H:47])([H:48])[H:49])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253126 6-aminopenicillanic acid + methyl n-hexanoate = dihydropenicillin F + methanol False Streptomyces mobaraensis nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5446

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33]>>[H][N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33]

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33]>>[H][N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33]

EVODEX.1-P5463

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][O:23][C:22]([H:47])([H:48])[H:49]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:23][C:22]([H:47])([H:48])[H:49])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34]

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][O:23][C:22]([H:47])([H:48])[H:49]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:23][C:22]([H:47])([H:48])[H:49])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][N:8]([C@:9]1([H:24])[C:10](=[O:11])[N:12]2[C@:13]1([H:25])[S:14][C:15]([C:16]([H:26])([H:27])[H:28])([C:17]([H:29])([H:30])[H:31])[C@@:18]2([C:19](=[O:20])[O:21][H:32])[H:33])[H:34]