HRID1128452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：COC(C(=O)NC1CCC(OCCCCCCN=[N+]=[N-])CN(C)C1=O)C(O)C(O)C(O)C=CC(C)(C)C

HCID178496396

未命名化合物

PRODUCTS

生成物

结构：COC(C(=O)NC1CCC(OCCCCCCN)CN(C)C1=O)C(O)C(O)C(O)C=CC(C)(C)C

HCID178496394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a865ab93e9a045cc8eeae293b8699e15
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

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