HRID2346668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75246

2-Naphthalenecarbonyl chloride

C11H7ClO

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(N)cc3)cc21

HCID86587769

未命名化合物

PRODUCTS

生成物

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cc21

HCID10145908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e97263d7f7d34086bafb152697adfdce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:21].[ClH:22].[NH2:23][c:24]1[cH:25][cH:26][c:27]([O:28][c:29]2[cH:30][cH:31][c:32]3[c:33]([n:34]([CH3:53])[c:35]([CH2:37][O:38][c:39]4[cH:40][cH:41][c:42]([CH2:43][CH:44]5[C:45](=[O:50])[NH:46][C:47](=[O:49])[S:48]5)[cH:51][cH:52]4)[n:36]3)[cH:54]2)[cH:55][cH:56]1.[cH:8]1[c:9]([C:18](=[O:19])[Cl:20])[cH:10][cH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12>>[cH:8]1[c:9]([C:18](=[O:19])[NH:23][c:24]2[cH:25][cH:26][c:27]([O:28][c:29]3[cH:30][cH:31][c:32]4[c:33]([n:34]([CH3:53])[c:35]([CH2:37][O:38][c:39]5[cH:40][cH:41][c:42]([CH2:43][CH:44]6[C:45](=[O:50])[NH:46][C:47](=[O:49])[S:48]6)[cH:51][cH:52]5)[n:36]4)[cH:54]3)[cH:55][cH:56]2)[cH:10][cH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12