HRID946567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID408285

2-Morpholinoethylamine

C6H14N2O

结构：Cc1c(Cl)c(OCC(=O)O)nc2sc(C(=O)NC3CC3)c(N)c12

HCID68436813

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)c(OCC(=O)NCCN2CCOCC2)nc2sc(C(=O)NC3CC3)c(N)c12

HCID57664396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e200fba1370455fa3a69550e9ea5ff7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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