HRID209458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

结构：CC(C)(C)OC(=O)C(C)(C)Sc1ccc(CCNCc2ccco2)cc1

HCID22708149

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN(CCc1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1)Cc1ccco1

HCID22708226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8156d9ebb85a4a4cba47ac5cbb08c678
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

[Br:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33].[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[I-:47].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:70].[o:1]1[c:2]([CH2:6][NH:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([S:16][C:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:25])[CH3:26])[cH:14][cH:15]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([CH2:6][N:7]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([S:16][C:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:25])[CH3:26])[cH:14][cH:15]2)[CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:3][cH:4][cH:5]1