HRID2133024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID938

Nicotinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCN)CC2)n1

HCID69026067

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCNC(=O)c3cccnc3)CC2)n1

HCID69025515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bfbe507ec2a4e2182590b609920ce26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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