HRID1122500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：CC(C)(C)OC(=O)NC1CCSc2cc(C(=O)O)ccc21

HCID22337443

未命名化合物

结构：Nc1ccnc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID22337470

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCSc2cc(C(=O)Nc3ccnc4c3cnn4C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21

HCID22337448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52dbc89637be417a871919803105a84b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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