HRID157045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc4cccc(N)c4c3)cc21

HCID9832711

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)Nc2cccc3ccc(Oc4ccc5nc(COc6ccc(CC7SC(=O)NC7=O)cc6)n(C)c5c4)cc23)cc1

HCID18537695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-231e1827afa648caab935f66bfd95ff5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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