HRID1202195

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

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CC(C)(C)OC(=O)NCCCC(NC(=O)OC(C)(C)C)C(=O)O

HCID11099624

Nalpha,delta-Bis-Boc-D-ornithine

C15H28N2O6

结构：N#Cc1c(SCc2csc(-c3ccc(Cl)cc3)n2)nc(N2CCC2)c(C#N)c1-c1ccc(OCCO)cc1

HCID46853023

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCC(NC(=O)OC(C)(C)C)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCC3)c2C#N)cc1

HCID77933560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7530521921e94e16916634d47c0dea1e
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

[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[NH:46][CH:47]([CH2:48][CH2:49][CH2:50][NH:51][C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[C:59](=[O:60])[OH:61].[CH2:92]1[O:93][CH2:94][CH2:95][CH2:96]1.[CH3:66][N:67]([CH3:68])[CH2:69][CH2:70][CH2:71][N:72]=[C:73]=[N:74][CH2:75][CH3:76].[CH3:77][N:78]([CH3:79])[c:80]1[cH:81][cH:82][n:83][cH:84][cH:85]1.[Cl:62][CH2:63][Cl:64].[ClH:65].[N:1]1([c:5]2[n:6][c:7]([S:25][CH2:26][c:27]3[n:28][c:29](-[c:32]4[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]4)[s:30][cH:31]3)[c:8]([C:23]#[N:24])[c:9](-[c:13]3[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][OH:22])[cH:17][cH:18]3)[c:10]2[C:11]#[N:12])[CH2:2][CH2:3][CH2:4]1.[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH2:91]>>[N:1]1([c:5]2[n:6][c:7]([S:25][CH2:26][c:27]3[n:28][c:29](-[c:32]4[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]4)[s:30][cH:31]3)[c:8]([C:23]#[N:24])[c:9](-[c:13]3[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][O:22][C:59]([CH:47]([NH:46][C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[CH2:48][CH2:49][CH2:50][NH:51][C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:60])[cH:17][cH:18]3)[c:10]2[C:11]#[N:12])[CH2:2][CH2:3][CH2:4]1