HRID2131636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID22346961

未命名化合物

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCNCC1

HCID22347262

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1

HCID18761469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a205516101f46fc9360793fa367ef8e
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:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])[CH2:43][CH2:44][OH:45].[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:77][CH2:78][Cl:79].[ClH:46].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16]([CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1.[OH:67][n:68]1[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16]([CH:24]3[CH2:25][CH2:26][N:27]([C:40]([CH2:39][CH2:38][N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH2:43][CH2:44][OH:45])=[O:41])[CH2:28][CH2:29]3)[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1