HRID682595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID75919

2-(2-Aminoethyl)pyridine

C7H10N2

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(NCCc1ccccn1)c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID9937108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03d43048a9514874b2d91e6b28922827
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

[CH2:54]([N:55]=[C:56]=[N:57][CH2:58][CH2:59][CH2:60][N:61]([CH3:62])[CH3:63])[CH3:64].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[ClH:53].[NH2:34][CH2:35][CH2:36][c:37]1[n:38][cH:39][cH:40][cH:41][cH:42]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]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:29])[NH:34][CH2:35][CH2:36][c:37]4[n:38][cH:39][cH:40][cH:41][cH:42]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