HRID90116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOc1cc(C(Nc2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)C(=O)OC)ccc1OC(C)C

HCID148550093

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(Nc2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)C(=O)O)ccc1OC(C)C

HCID152755032

2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-[4-(N-phenylmethoxycarbonylcarbamimidoyl)anilino]acetic acid

C28H31N3O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d67ae44e8b924ba1a1b1a1c8083e7a08
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

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