HRID688867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID8354

N-(Hydroxymethyl)phthalimide

C9H7NO3

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2

HCID22343809

未命名化合物

PRODUCTS

生成物

结构：COc1c(CN2C(=O)c3ccccc3C2=O)c2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2

HCID22344019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6555909d1b6e41f19d2110b1a952d805
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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