HRID89129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1nn(-c2ccc(S(C)(=O)=O)cc2)c(=O)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

HCID44621631

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(=O)n(-c3ccc(S(C)(=O)=O)cc3)nc2C(N)=O)CC1

HCID67446737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78776538b0b740e8ba67f61c718beb16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]([C:32]([O:34][CH3:33])=[O:35])[n:17][n:18](-[c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[c:19](=[O:21])[cH:20]2)[CH2:12][CH2:13]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:37][OH:38].[NH3:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]([C:32](=[O:34])[NH2:36])[n:17][n:18](-[c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[c:19](=[O:21])[cH:20]2)[CH2:12][CH2:13]1