HRID1536732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2777084

2,5-dichlorothiophene-3-carbonyl chloride

C5HCl3OS

结构：CNCc1cc(OCCc2nc(-c3ccccc3)oc2C)ccc1CCC(=O)OC(C)(C)C

HCID58978946

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)OC(C)(C)C)c(CN(C)C(=O)c2cc(Cl)sc2Cl)c1

HCID58979258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8226837806c948e59d9bae5824d9b1c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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