HRID1136204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

结构：CC(C)OC(=O)N1CCCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Br)cc21

HCID86616064

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(Br)ccc21

HCID59003154

Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-8-bromo-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

C25H25BrF6N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d96cc76798c2455d95d6ee41fcdabcb6
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

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