HRID105344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID34367

1-(9-Fluorenyl)methyl chloroformate

C15H11ClO2

结构：COCOc1ccc(-c2ccc3c(c2CNc2ccccc2OC)N(C)C(=O)C(C)(C)N3)c(OC)c1

HCID58337184

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(-c2ccc3c(c2CN(C(=O)OCC2c4ccccc4-c4ccccc42)c2ccccc2OC)N(C)C(=O)C(C)(C)N3)c(OC)c1

HCID58337196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3fa3c40c46943a4916e43bfcdc51f55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[OH:40].[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:1][O:2][c:3]1[c:4](-[c:13]2[cH:14][cH:15][c:16]3[c:21]([c:22]2[CH2:23][NH:24][c:25]2[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]2)[N:20]([CH3:33])[C:19](=[O:34])[C:18]([CH3:35])([CH3:36])[NH:17]3)[cH:5][cH:6][c:7]([O:9][CH2:10][O:11][CH3:12])[cH:8]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Na+:41].[OH2:66].[cH:42]1[cH:43][cH:44][cH:45][c:46]2[c:54]1[CH:53]([CH2:55][O:56][C:57](=[O:58])[Cl:59])[c:52]1[c:47]-2[cH:48][cH:49][cH:50][cH:51]1>>[CH3:1][O:2][c:3]1[c:4](-[c:13]2[cH:14][cH:15][c:16]3[c:21]([c:22]2[CH2:23][N:24]([c:25]2[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]2)[C:57]([O:56][CH2:55][CH:53]2[c:52]4[c:47]([cH:48][cH:49][cH:50][cH:51]4)-[c:46]4[cH:45][cH:44][cH:43][cH:42][c:54]42)=[O:58])[N:20]([CH3:33])[C:19](=[O:34])[C:18]([CH3:35])([CH3:36])[NH:17]3)[cH:5][cH:6][c:7]([O:9][CH2:10][O:11][CH3:12])[cH:8]1