HRID114463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：COc1cc(OC(=O)c2ccccc2)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

HCID57671885

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(O)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

HCID25211263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-38640810855c48f492d5ff3f6abc0eaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][c:12]([O:40][CH3:41])[c:13](-[c:16]2[cH:17][cH:18][c:19]3[c:24]([c:25]2[CH2:26][O:27][c:28]2[c:29]([CH3:35])[cH:30][cH:31][c:32]([F:34])[cH:33]2)[N:23]([CH3:36])[C:22](=[O:37])[C:21]([CH3:38])([CH3:39])[NH:20]3)[cH:14][cH:15]1.[CH3:46][OH:47].[ClH:45].[Na+:43].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:42].[OH2:44]>>[OH:9][c:10]1[cH:11][c:12]([O:40][CH3:41])[c:13](-[c:16]2[cH:17][cH:18][c:19]3[c:24]([c:25]2[CH2:26][O:27][c:28]2[c:29]([CH3:35])[cH:30][cH:31][c:32]([F:34])[cH:33]2)[N:23]([CH3:36])[C:22](=[O:37])[C:21]([CH3:38])([CH3:39])[NH:20]3)[cH:14][cH:15]1