HRID1210096

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID145820

Benzimidazole, 2-(aminomethyl)- (6CI,7CI,8CI)

C8H9N3

结构：O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(N2CCOCC2)CC1)=Cc1ccccc1-3

HCID57526683

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(N2CCOCC2)CC1)=Cc1ccccc1-3

HCID57526621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fc49ab4f7f94ef6b6b4ce956585c4d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:66][N:67]([CH3:68])[CH2:69][CH2:70][CH2:71][N:72]=[C:73]=[N:74][CH2:75][CH3:76].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:39](=[O:40])[OH:41])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:35][cH:36][cH:37][cH:38]2)[CH:18]=[C:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[CH2:27][CH2:28]2)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[ClH:43].[ClH:44].[ClH:65].[NH2:45][CH2:46][c:47]1[nH:48][c:49]2[c:50]([n:51]1)[cH:52][cH:53][cH:54][cH:55]2.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[OH2:42].[OH:77][n:78]1[c:79]2[cH:80][cH:81][cH:82][cH:83][c:84]2[n:85][n:86]1>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:39](=[O:40])[NH:45][CH2:46][c:47]4[nH:48][c:49]5[c:50]([n:51]4)[cH:52][cH:53][cH:54][cH:55]5)[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:35][cH:36][cH:37][cH:38]2)[CH:18]=[C:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[CH2:27][CH2:28]2)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1