HRID213820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8053

3-Methylbutyl nitrite

C5H11NO2

HCID8471

Triethylamine

C6H15N

HCID33558

Azide

N3-

2 次

HCID3256856

未命名化合物

结构：O=C(NC(Cc1c[nH]cn1)C(=O)O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12

HCID178523260

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)C(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12

HCID178459624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35af3ea5a5044ae39f0126b08a7a15e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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