HRID2331511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID533868

2-(benzyloxy)-1-ethanamine

C9H13NO

结构：O=C(O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1

HCID178525869

未命名化合物

PRODUCTS

生成物

结构：O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1)NCCOCc1ccccc1

HCID178521306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-614d1e6053d44b38843a5bf90b417209
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:68]([c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[O:75][CH2:76][CH2:77][NH2:78].[CH3:79][CH2:80][N:81]([CH2:82][CH3:83])[CH2:84][CH3:85].[CH:52]1([N:53]=[C:54]=[N:55][CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[ClH:67].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH2:51].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1.[c:1]1([CH2:7][O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][nH:16][cH:17][n:18]2)[C:19](=[O:20])[N:21]([CH2:22][C:23](=[O:24])[OH:25])[CH2:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:31][cH:32]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][nH:16][cH:17][n:18]2)[C:19](=[O:20])[N:21]([CH2:22][C:23](=[O:24])[NH:78][CH2:77][CH2:76][O:75][CH2:68][c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:31][cH:32]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1