HRID702100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5987

Sulfamic acid

H3NO3S

HCID8028

Tetrahydrofuran

C4H8O

HCID197148

Chlorite

ClO2-

结构：CCOC(=O)c1ccc(OCCCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c(C=O)c1

HCID57589155

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(OCCCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c(C(=O)O)c1

HCID57589042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6169bdead02249feb6589c2a412adc7a
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

[CH2:38]1[CH2:41][CH2:40][CH2:39][O:42]1.[Cl+:43]([O-:44])[O-:45].[NH2:47][S:48](=[O:49])(=[O:50])[OH:51].[Na+:46].[OH2:52].[c:1]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:2][cH:3][c:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]3[c:20]([CH:30]=[O:31])[cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29]3)[cH:13][cH:14]2)[cH:5][cH:6]1>>[c:1]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:2][cH:3][c:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]3[c:20]([C:30](=[O:31])[OH:42])[cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29]3)[cH:13][cH:14]2)[cH:5][cH:6]1