HRID105329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID10898

2-Bromo-1-ethanol

C2H5BrO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(O)c2)c1N

HCID11245836

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(OCCBr)c2)c1N

HCID58088946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cced3cebf812464fb57b5b10b0e9d519
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

[Br:29][CH2:30][CH2:31][OH:32].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[Cl-:64].[NH2:1][c:2]1[c:3]([C:20]([c:21]2[cH:22][c:23]([OH:27])[cH:24][cH:25][cH:26]2)=[O:28])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15]2)[cH:16][cH:17][c:18]1[CH3:19].[NH4+:65].[O:52]=[C:53]([O:54][CH2:55][CH3:56])[N:57]=[N:58][C:59]([O:60][CH2:61][CH3:62])=[O:63].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[NH2:1][c:2]1[c:3]([C:20]([c:21]2[cH:22][c:23]([O:27][CH2:31][CH2:30][Br:29])[cH:24][cH:25][cH:26]2)=[O:28])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15]2)[cH:16][cH:17][c:18]1[CH3:19]