HRID93306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CCCCn1c(=O)cc(SCCC)n(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1=O

HCID19811524

未命名化合物

PRODUCTS

生成物

结构：CCCCn1c(=O)cc(SCCC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O

HCID178448690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30466604b52b4029a8eaaaa79d5e1373
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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