HRID674147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)OC)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1

HCID178454929

未命名化合物

PRODUCTS

生成物

结构：CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)O)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1

HCID178454930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-399afa0f8e534b21b708d506340adadb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][OH:51].[Li+:44].[OH-:43].[OH2:42].[OH2:52].[c:1]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:2][cH:3][c:4]([C:7]2([S:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:8][CH:9]([C:27](=[O:28])[O:29][CH3:30])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1>>[c:1]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:2][cH:3][c:4]([C:7]2([S:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:8][CH:9]([C:27](=[O:28])[OH:29])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1