HRID1236144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8018

2-Methoxyethylamine

C3H9NO

HCID8028

Tetrahydrofuran

C4H8O

结构：O=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1

HCID25212245

未命名化合物

PRODUCTS

生成物

结构：COCCOCc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1

HCID25212242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efb3602535ff462b832abf8421198620
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:45]([OH:46])(=[O:47])[CH3:48].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:40][O:41][CH2:42][CH2:43][NH2:44].[F:1][c:2]1[cH:3][c:4]([NH:26][C:27](=[S:28])[NH:29][C:30]([CH2:31][c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)=[O:39])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16](-[c:18]1[n:19][cH:20][c:21]([CH:24]=[O:25])[cH:22][cH:23]1)[s:17]2>>[F:1][c:2]1[cH:3][c:4]([NH:26][C:27](=[S:28])[NH:29][C:30]([CH2:31][c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)=[O:39])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16](-[c:18]1[n:19][cH:20][c:21]([CH2:24][O:25][CH2:43][CH2:42][O:41][CH3:40])[cH:22][cH:23]1)[s:17]2