HRID1123860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID57157437

未命名化合物

结构：CC(C)(C)ONS(=O)(=O)C1C=CC(Cl)=CC1=C=O

HCID86746178

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(CCCCN(OC(C)(C)C)S(=O)(=O)C1C=CC(Cl)=CC1=C=O)CCCc1cccnc1

HCID178500265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-214d6ded1c3c43e7b294dbd45750aa02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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