HRID1149383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22149714

未命名化合物

反应SMILES：CCCc1nnc2c(=O)[nH]c3cc(C(=O)O)ccc3n12

HCID58575281

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4CCN(C)C(c5ccccc5)C4)ccc3n12

HCID58575568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-995b12ee7d144811b562388284d8eb8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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