HRID106922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69018

Propionyl bromide

C3H5BrO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CCCCc1nn(-c2cc(N)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F

HCID19939446

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F

HCID10395335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad57e08b99b847408b9ffa717e8be8b8
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

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