HRID183084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

结构：CCOC(=O)c1c(C(C)(C)O)nc(SC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036264

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(C)(C)O)nc(SC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178468947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-100574a5eadf4f2cb0b82e21b2ee12a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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