HRID174179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1004

Phosphoric acid

H3O4P

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID10387

Benzyl chloroformate

C8H7ClO2

结构：COC(=O)C(COCc1ccc(OCCc2coc(-c3ccccc3)n2)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178500896

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(COCc1ccc(OCCc2coc(-c3ccccc3)n2)cc1)NC(=O)OCc1ccccc1

HCID178500897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebd424942efa4ff5872d19b9038744de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[O:62][C:63](=[O:64])[Cl:65].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][O:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][c:37]2[n:38][c:39](-[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[o:40][cH:41]2)[cH:32][cH:33]1)=[O:48].[CH3:66][CH2:67][O:68][CH2:69][CH3:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH3:77][C:78]#[N:79].[CH3:80][OH:81].[ClH:49].[P:50](=[O:51])([OH:52])([OH:53])[OH:54]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:63]([O:62][CH2:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[O:64])[CH2:25][O:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][c:37]2[n:38][c:39](-[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[o:40][cH:41]2)[cH:32][cH:33]1)=[O:48]