HRID2314226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

结构：COc1ccccc1-c1cn2c(n1)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)CC2

HCID22016834

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn2c(n1)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC2

HCID22016807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53d1d1b1f9e544618c5f6d0e0eb17466
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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