HRID93798

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

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID9845844

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1ccc(O)cc1)c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID9850644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cd7a75448cb4f759d5180ebf94a3d13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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