HRID194730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：Cn1nccc1Nc1ccc2c(c1)C(=O)CC1(CCNCC1)O2

HCID57930974

未命名化合物

反应SMILES：O=C(O)c1cc(-c2ccccc2)nc(-c2nnn[nH]2)c1

HCID178524116

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1nccc1Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4nnn[nH]4)c3)CC1)O2

HCID178481810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eb3e954b5a6f4066980cab686015b4a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:2][n:3]1[n:4][cH:5][cH:6][c:7]1[NH:8][c:9]1[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[O:15][C:14]1([CH2:13][C:12]2=[O:24])[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[ClH:1].[ClH:36].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:25].[OH2:68].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1.[c:48]1(-[c:54]2[cH:55][c:56]([C:57](=[O:58])[OH:59])[cH:60][c:61](-[c:63]3[n:64][n:65][n:66][nH:67]3)[n:62]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:2][n:3]1[n:4][cH:5][cH:6][c:7]1[NH:8][c:9]1[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[O:15][C:14]1([CH2:13][C:12]2=[O:24])[CH2:19][CH2:20][N:21]([C:57]([c:56]2[cH:55][c:54](-[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[n:62][c:61](-[c:63]3[n:64][n:65][n:66][nH:67]3)[cH:60]2)=[O:58])[CH2:22][CH2:23]1