HRID166325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID14403175

9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine

C9H18N2

HCID135957253

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN1C2CCCC1CC(NC(=O)c1cccc3oc(-c4ccccc4O)nc13)C2

HCID136162984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b6070750ea84a6ba1fd190ec536b6d3
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

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