HRID121899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18438648

1-(Aminomethyl)cycloheptan-1-ol

C8H17NO

HCID18438655

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1(O)CCCCCC1)c1cc(-c2cn[nH]n2)ccc1Cl

HCID58818189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b95c3129e0204bc295129e6cdc76a294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8](-[c:11]2[n:12][nH:13][n:14][cH:15]2)[cH:9][cH:10]1.[ClH:37].[NH2:38][CH2:39][C:40]1([OH:47])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH:16][n:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[n:24][n:25]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:38][CH2:39][C:40]2([OH:47])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[cH:7][c:8](-[c:11]2[n:12][nH:13][n:14][cH:15]2)[cH:9][cH:10]1