HRID2127223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID408343

Diethyl 2-aminopentanedioate

C9H17NO4

结构：Nc1nc2ccc3ccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)cc3c2c(=O)[nH]1

HCID135838111

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccc3ccc4nc(N)[nH]c(=O)c4c3c2)cc1)C(=O)OCC

HCID178471656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67615b14660e44b5992b78f7f1fac463
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

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