HRID1115552

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

结构：COC(=O)CCC(=NOCc1cc(OC)c(OCc2nc(-c3ccccc3)oc2C)c(OC)c1)c1ccccc1

HCID54353060

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CON=C(CCC(=O)O)c2ccccc2)cc(OC)c1OCc1nc(-c2ccccc2)oc1C

HCID53861660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1debf1f027274e5e9be457fc68b02188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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