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EVODEX.1-R6216

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][N:16]([C:15]1([H:30])[C:14]2([H:27])[S:13][C:11]([C:10]([H:33])([H:34])[H:35])([C:12]([H:24])([H:25])[H:26])[C:20]([C:21](=[O:22])[O:23][H:31])([H:32])[N:19]2[C:17]1=[O:18])[H:28].[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[O:9][H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[N:16]([C:15]1([H:30])[C:14]2([H:27])[S:13][C:11]([C:10]([H:33])([H:34])[H:35])([C:12]([H:24])([H:25])[H:26])[C:20]([C:21](=[O:22])[O:23][H:31])([H:32])[N:19]2[C:17]1=[O:18])[H:28])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47].[H][O:9][H:39]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253181 isobutoxymethylpenicillin + H2O = 6-aminopenicillanate + carbonic acid isopropyl ester False Escherichia coli nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5471

[H]O[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8]>>[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8])C2([H])SC1(C([H])([H])[H])C([H])([H])[H]

[H]O[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8]>>[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8])C2([H])SC1(C([H])([H])[H])C([H])([H])[H]

EVODEX.1-P5472

[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[O:9][H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8])C2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:9][H:39]

[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[O:9][H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8])C2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:9][H:39]