HRID1222159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7973

2-Bromopyridine

C5H4BrN

HCID8028

Tetrahydrofuran

C4H8O

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C=O)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID76731630

未命名化合物

PRODUCTS

生成物

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(O)c3ccccn3)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID178495027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc3027bb2b6e4ec0b0b2641a02f74ad4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][cH:5][cH:6][cH:7]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:8](=[O:9])[CH:10]1[CH2:11][N:12]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:13][CH:14]([N:16]([CH2:17][CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[c:23]2[n:24][c:25]3[c:26]([n:27]2[CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]3)[CH2:15]1.[Cl-:45].[NH4+:46]>>[c:2]1([CH:8]([OH:9])[CH:10]2[CH2:11][N:12]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:13][CH:14]([N:16]([CH2:17][CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[c:23]3[n:24][c:25]4[c:26]([n:27]3[CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]4)[CH2:15]2)[n:3][cH:4][cH:5][cH:6][cH:7]1