HRID284201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID28486

Lithium ion

Li+

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID284090

未命名化合物

HCID178430465

未命名化合物

PRODUCTS

生成物

结构：CC1CN(CCCC2CCOC2)CCC1(C)c1cccc(-c2c[nH]nn2)c1

HCID178430495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25b609186f234618ac5ab5c5cd79d9d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Al+3:59].[CH3:1][CH:2]1[CH2:3][NH:4][CH2:5][CH2:6][C:7]1([c:8]1[cH:9][c:10](-[c:14]2[n:15][n:16][nH:17][cH:18]2)[cH:11][cH:12][cH:13]1)[CH3:19].[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[Cl-:64].[ClH:30].[H-:58].[H-:61].[H-:62].[H-:63].[Li+:60].[NH4+:65].[Na+:53].[O:20]1[CH2:21][CH:22]([CH2:25][CH2:26][C:27]([OH:28])=[O:29])[CH2:23][CH2:24]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1.[OH:54][C:55](=[O:56])[O-:57]>>[CH3:1][CH:2]1[CH2:3][N:4]([CH2:27][CH2:26][CH2:25][CH:22]2[CH2:21][O:20][CH2:24][CH2:23]2)[CH2:5][CH2:6][C:7]1([c:8]1[cH:9][c:10](-[c:14]2[n:15][n:16][nH:17][cH:18]2)[cH:11][cH:12][cH:13]1)[CH3:19]