HRID147860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID81531

Diisopropylethylamine

C8H19N

HCID107202

2-Methoxy-2-phenylacetic acid

C9H10O3

HCID21264544

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COC(C(=O)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1)c1ccccc1

HCID178496349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc313a2d299045e590caca5c32355d62
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

[CH3:12][O:13][CH:14]([C:15](=[O:16])[OH:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH:24]1([N:25]=[C:26]=[N:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[CH:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH2:67][CH3:68])([CH3:69])[CH3:70].[ClH:39].[OH2:1].[OH:2][c:3]1[c:4]2[n:5][n:6][nH:7][c:8]2[cH:9][cH:10][cH:11]1.[c:40]1([C:46]2([c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[CH2:47][CH2:48][C:49](=[O:55])[CH:50]3[CH2:51][NH:52][CH2:53][CH:54]23)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH3:12][O:13][CH:14]([C:15](=[O:17])[N:52]1[CH2:51][CH:50]2[C:49](=[O:55])[CH2:48][CH2:47][C:46]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)([c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[CH:54]2[CH2:53]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1