HRID669465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID5610

Tyramine

C8H11NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)O)C(C)C

HCID178447293

未命名化合物

PRODUCTS

生成物

结构：CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)NCCc1ccc(O)cc1)C(C)C

HCID178447291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e57edfa4d74401583e84c5b0e56321f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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