HRID1238018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N

HCID9832447

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(=O)Nc1c(C)cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc1C

HCID77844522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ce3861db52e4a42ab5c5b66e3bce972
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

[CH3:39][C:40](=[O:41])[O:42][C:43](=[O:44])[CH3:45].[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[ClH:1].[ClH:2].[NH2:3][c:4]1[c:5]([CH3:38])[cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][c:36]1[CH3:37].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[ClH:1].[NH:3]([c:4]1[c:5]([CH3:38])[cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][c:36]1[CH3:37])[C:40]([CH3:39])=[O:41]