HRID1558876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCOC(=O)C(CCCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1cn(S(=O)(=O)c2ccc(C)cc2)cn1

HCID67444839

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1c[nH]cn1

HCID178471441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cd926b39a094c5fa2ec6228db4f9ccd
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](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])([C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:24]1[n:25][cH:26][n:27]([S:29]([c:30]2[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]2)(=[O:37])=[O:38])[cH:28]1.[CH3:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])([C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:24]1[n:25][cH:26][nH:27][cH:28]1