HRID160173

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

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

HCID68456666

未命名化合物

PRODUCTS

生成物

结构：CN1C2CCCC1CC(NC(=O)c1cccc3oc(-c4cc5c(s4)CCC5)nc13)C2

HCID59017549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd4999fec5654e97be0706cd44de005e
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

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