HRID283165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：[N-]=[N+]=NC1CCC(N2CCC(CC3(c4cccc(C(F)(F)F)c4)OCCO3)C2=O)C(CS(=O)(=O)c2ccccc2)C1

HCID178514492

未命名化合物

PRODUCTS

生成物

结构：NC1CCC(N2CCC(CC3(c4cccc(C(F)(F)F)c4)OCCO3)C2=O)C(CS(=O)(=O)c2ccccc2)C1

HCID69035634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-280486867c25432b97e7dc75e9b72509
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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