HRID1122124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID15908

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

C8H17N3

HCID31374

Dimethylacetamide

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15453776

未命名化合物

结构：CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCN

HCID67282074

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCNC(=O)c1ccc(C(OCCN(C)C)c2ccccc2)cc1

HCID21984036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd8e288c7a9c4cffab1283a2f3a86f6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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