HRID2143634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6354

Ethylene oxide

C2H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID644041

Methanaminium

CH6N+

结构：COc1ccc(C2NC(=O)OC2c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1

HCID178489018

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2OC(=O)N(CCO)C2c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1

HCID178489211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a338a501a2248e0b5b43dedd7836511
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:17]2[NH:18][C:19](=[O:38])[O:20][CH:21]2[c:22]2[cH:23][c:24]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:25]([O:28][CH3:29])[cH:26][cH:27]2)[cH:12][cH:13][c:14]1[O:15][CH3:16].[CH2:39]1[CH2:40][O:41]1.[CH3:43][NH3+:44].[Cl-:42].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:17]2[N:18]([CH2:39][CH2:40][OH:41])[C:19](=[O:38])[O:20][CH:21]2[c:22]2[cH:23][c:24]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:25]([O:28][CH3:29])[cH:26][cH:27]2)[cH:12][cH:13][c:14]1[O:15][CH3:16]