HRID679053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6962

4-Sulfophthalic acid

C8H6O7S

HCID7237

o-Xylene

C8H10

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24813

Phosphoric trichloride

Cl3OP

结构：O=c1c(S(=O)(=O)O)cc2cccc3nc4c5ccccc5cn4c1c23

HCID21434658

未命名化合物

PRODUCTS

生成物

HCID24638

Chlorosulfuric acid

HClO3S

HCID56614943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ecbebccb544c4a81339f3ba0cfee7a
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

[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[P:42]([Cl:43])([Cl:44])([Cl:45])=[O:46].[S:1](=[O:2])(=[O:3])([OH:4])[c:5]1[c:6](=[O:25])[c:7]2[n:8]3[cH:9][c:10]4[cH:11][cH:12][cH:13][cH:14][c:15]4[c:16]3[n:17][c:18]3[cH:19][cH:20][cH:21][c:22]([cH:23]1)[c:24]23.[S:26]([c:27]1[cH:28][c:29]([C:30]([OH:31])=[O:32])[c:33]([C:36]([OH:37])=[O:38])[cH:34][cH:35]1)([OH:39])(=[O:40])=[O:41].[c:54]1([CH3:55])[c:56]([CH3:57])[cH:58][cH:59][cH:60][cH:61]1>>[S:1](=[O:2])(=[O:3])([OH:4])[Cl:44].[cH:5]1[c:6](=[O:25])[c:7]2[n:8]3[cH:9][c:10]4[cH:11][cH:12][cH:13][cH:14][c:15]4[c:16]3[n:17][c:18]3[cH:19][cH:20][cH:21][c:22]([cH:23]1)[c:24]23