HRID160158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)C(OC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID59610020

未命名化合物

HCID86648287

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc2nc(NC(=O)C(OC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)sc2n1

HCID59610059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5244204b4074f938d4a0e735a74ee85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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