HRID2138404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID6670

2-Amino-1-naphthalenesulfonic acid

C10H9NO3S

HCID6812

Naphthalene-1-sulfonic acid

C10H8O3S

结构：Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1

HCID6851

1,3-Naphthalenedisulfonic acid, 7-amino-

C10H9NO6S2

结构：Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1

HCID8356

1,3-Naphthalenedisulfonic acid, 6-amino-

C10H9NO6S2

HCID24682

Sulfur trioxide

O3S

PRODUCTS

生成物

HCID6851

1,3-Naphthalenedisulfonic acid, 7-amino-

C10H9NO6S2

结构：Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O

HCID6453197

6-Aminonaphthalene-1,3,5-trisulphonic acid

C10H9NO9S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1b222ca5ccd4953976d5390aaeca5c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[NH2:1][c:2]1[cH:3][c:4]2[c:5]([S:16](=[O:17])(=[O:18])[OH:19])[cH:6][c:7]([S:12](=[O:13])(=[O:14])[OH:15])[cH:8][c:9]2[cH:10][cH:11]1.[NH2:20][c:21]1[cH:22][c:23]2[cH:24][c:25]([S:35](=[O:36])(=[O:37])[OH:38])[cH:26][c:27]([S:31](=[O:32])(=[O:33])[OH:34])[c:28]2[cH:29][cH:30]1.[NH2:39][c:40]1[cH:41][cH:42][c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[c:49]1[S:50](=[O:51])(=[O:52])[OH:53].[O:68]=[S:69](=[O:70])=[O:71].[S:72](=[O:73])(=[O:74])([OH:75])[OH:76].[cH:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][c:60]2[S:61]([OH:62])(=[O:63])=[O:64])[cH:65][cH:66][cH:67]1>>[NH2:1][c:2]1[cH:3][c:4]2[c:5]([S:16](=[O:17])(=[O:18])[OH:19])[cH:6][c:7]([S:12](=[O:13])(=[O:14])[OH:15])[cH:8][c:9]2[cH:10][cH:11]1.[NH2:20][c:21]1[c:22]([S:50](=[O:51])(=[O:52])[OH:53])[c:23]2[cH:24][c:25]([S:35](=[O:36])(=[O:37])[OH:38])[cH:26][c:27]([S:31](=[O:32])(=[O:33])[OH:34])[c:28]2[cH:29][cH:30]1