HRID1213830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(N(CC(=O)C4CC(N(Cc5ccccc5)Cc5ccccc5)CC4C)C(=O)OC(C)(C)C)cnc32)cc1

HCID58557498

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(NCC(=O)C4CC(N(Cc5ccccc5)Cc5ccccc5)CC4C)cnc32)cc1

HCID58557096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48e96807253f4a63aec371c1a5b3a10b
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

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