HRID292641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)c1cc(F)c(N2CCC(NC(=O)OC(C)(C)C)C2)c(Cl)c1NC1CC1

HCID76578459

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(c2c(F)cc(C(=O)O)c(NC3CC3)c2Cl)C1

HCID21978980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e1e9f53c02d43268067fdd0363ca3f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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