HRID307777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8420

Naphthalene-2-sulfonic acid

C10H8O3S

结构：Cn1cc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)Nc4ccccc4N)c3)cc2)cn1

HCID67095441

未命名化合物

PRODUCTS

生成物

HCID8420

Naphthalene-2-sulfonic acid

C10H8O3S

HCID67095441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d39648c49ca2480fa91b6b2da422d529
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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