HRID177163

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)c(Cl)cc21

HCID22337407

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)c(Cl)cc21

HCID22337466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-371af5cc8b5540eaaad1c8b492cbda78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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:20](=[O:21])[OH:22])[c:16]([Cl:19])[cH:17][c:18]21.[Cl:53][c:54]1[cH:55][cH:56][cH:57][cH:58][n+:59]1[CH3:60].[I-:52].[NH2:23][c:24]1[c:25]2[c:26]([n:27][cH:28][cH:29]1)[n:30]([C:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[n:31][cH:32]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:20](=[O:21])[NH:23][c:24]3[c:25]4[c:26]([n:27][cH:28][cH:29]3)[n:30]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[n:31][cH:32]4)[c:16]([Cl:19])[cH:17][c:18]21