HRID115629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

结构：C=Cc1ccc2oc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2c1

HCID69490024

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc2cc(CCO)ccc2o1

HCID69487867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9b04c526a1244418e33c51af9452d47
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15](=[O:16])[c:17]2[o:18][c:19]3[c:20]([cH:21]2)[cH:22][c:23]([CH:26]=[CH2:27])[cH:24][cH:25]3)[cH:10][cH:11][cH:12][cH:13]1)=[O:28].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH:29]12[CH2:30][CH2:31][CH2:32][CH:33]([BH:34]1)[CH2:35][CH2:36][CH2:37]2.[Na+:39].[OH-:38].[OH2:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15](=[O:16])[c:17]2[o:18][c:19]3[c:20]([cH:21]2)[cH:22][c:23]([CH2:26][CH2:27][OH:38])[cH:24][cH:25]3)[cH:10][cH:11][cH:12][cH:13]1)=[O:28]