HRID1121313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：CCOC(=O)C1CC(OC2CCCCO2)CN1C(=O)OCc1ccccc1

HCID178469288

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)C1CC(OC2CCCCO2)CN1C(=O)OCc1ccccc1

HCID178502678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-055db6cae61e461a9e89799b208bb0b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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