HRID808084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

结构：O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CCNCC1

HCID67089852

未命名化合物

结构：CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1

HCID67090575

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NCC(=O)N1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1

HCID67090487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d5d89defd2b4c44810e4b082187825c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:26]([O:27][C:28]([NH:29][CH2:30][C:31]([OH:32])=[O:33])=[O:34])([CH3:35])([CH3:36])[CH3:37].[C:68]([O:69][C:70](=[O:71])[NH:75][CH2:76][C:77](=[O:78])[N:79]1[CH2:80][CH2:81][N:82]([C:85]([c:86]2[cH:87][cH:88][c:89]([CH:92]=[CH:93][c:94]3[n:95][nH:96][c:97]4[cH:98][cH:99][cH:100][cH:101][c:102]34)[cH:90][cH:91]2)=[O:103])[CH2:83][CH2:84]1)([CH3:72])([CH3:73])[CH3:74].[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:104][OH:105].[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[ClH:106].[ClH:49].[OH2:38].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[nH:1]1[c:2]2[c:3]([cH:4][cH:5][cH:6][cH:7]2)[c:8]([CH:9]=[CH:10][c:11]2[cH:12][cH:13][c:14]([C:15]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)=[O:22])[cH:23][cH:24]2)[n:25]1>>[ClH:49].[NH2:75][CH2:76][C:77](=[O:78])[N:79]1[CH2:80][CH2:81][N:82]([C:85]([c:86]2[cH:87][cH:88][c:89]([CH:92]=[CH:93][c:94]3[n:95][nH:96][c:97]4[cH:98][cH:99][cH:100][cH:101][c:102]34)[cH:90][cH:91]2)=[O:103])[CH2:83][CH2:84]1