HRID1541415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6811

Phthalic anhydride

C8H4O3

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1ccc(C2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1

HCID10685309

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C2c3c(C)c(N4C(=O)c5ccccc5C4=O)c(C)c(C)c3OC2(C)C)cc1

HCID21961324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d3ebbab611043b7ba4948e040ba9259
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:12][C:13]1([CH3:33])[O:14][c:15]2[c:16]([c:25]([CH3:32])[c:26]([NH2:31])[c:27]([CH3:30])[c:28]2[CH3:29])[CH:17]1[c:18]1[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]1.[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][C:40]([O:41][C:42](=[O:43])[CH3:44])=[O:45].[Na+:34].[Na+:47].[O:1]=[C:2]1[O:3][C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:46]>>[C:2]1(=[O:3])[c:11]2[c:6]([cH:7][cH:8][cH:9][cH:10]2)[C:4](=[O:5])[N:31]1[c:26]1[c:25]([CH3:32])[c:16]2[c:15]([c:28]([CH3:29])[c:27]1[CH3:30])[O:14][C:13]([CH3:12])([CH3:33])[CH:17]2[c:18]1[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]1