HRID667049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)CC(N)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCCC3)c2C#N)cc1

HCID77798178

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCCC3)c2C#N)cc1

HCID178446625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd875d111c584f7aa99d633bc4edf0a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[OH:12].[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]=[C:21]=[N:22][CH2:23][CH3:24].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:13].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[NH2:52][CH:53]([CH2:54][CH:55]([CH3:56])[CH3:57])[C:58](=[O:59])[O:60][CH2:61][CH2:62][O:63][c:64]1[cH:65][cH:66][c:67](-[c:70]2[c:71]([C:97]#[N:98])[c:72]([S:83][CH2:84][c:85]3[n:86][c:87](-[c:90]4[cH:91][cH:92][c:93]([Cl:96])[cH:94][cH:95]4)[s:88][cH:89]3)[n:73][c:74]([N:78]3[CH2:79][CH2:80][CH2:81][CH2:82]3)[c:75]2[C:76]#[N:77])[cH:68][cH:69]1.[O:99]=[CH:100][N:101]([CH3:102])[CH3:103].[OH2:104].[OH2:25].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:12])[NH:52][CH:53]([CH2:54][CH:55]([CH3:56])[CH3:57])[C:58](=[O:59])[O:60][CH2:61][CH2:62][O:63][c:64]1[cH:65][cH:66][c:67](-[c:70]2[c:71]([C:97]#[N:98])[c:72]([S:83][CH2:84][c:85]3[n:86][c:87](-[c:90]4[cH:91][cH:92][c:93]([Cl:96])[cH:94][cH:95]4)[s:88][cH:89]3)[n:73][c:74]([N:78]3[CH2:79][CH2:80][CH2:81][CH2:82]3)[c:75]2[C:76]#[N:77])[cH:68][cH:69]1