HRID1535312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68007

Benzene, 1-(bromomethyl)-3-fluoro-

C7H6BrF

结构：CCC(c1nn2cccc2c(=O)n1Cc1ccc(F)cc1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1

HCID69591796

未命名化合物

结构：CCC(c1nn2cccc2c(=O)[nH]1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1

HCID136411691

未命名化合物

PRODUCTS

生成物

结构：CCC(c1nn2cccc2c(=O)n1Cc1cccc(F)c1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1

HCID69591824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ff14308cd5243b2bca1aab994a57c22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][N:11]([CH:12]([CH2:13][CH3:14])[c:15]1[n:16][n:17]2[c:18]([c:19](=[O:21])[nH:20]1)[cH:22][cH:23][cH:24]2)[C:25]([c:26]1[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]1)=[O:33])=[O:34].[C:35]([O:36][C:37](=[O:38])[NH:39][CH2:40][CH2:41][CH2:42][N:43]([CH:44]([c:45]1[n:46]([CH2:47][c:48]2[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]2)[c:55](=[O:56])[c:57]2[cH:58][cH:59][cH:60][n:61]2[n:62]1)[CH2:63][CH3:64])[C:65](=[O:66])[c:67]1[cH:68][cH:69][c:70]([CH3:71])[cH:72][cH:73]1)([CH3:74])([CH3:75])[CH3:76].[F:77][c:78]1[cH:79][c:80]([CH2:81][Br:82])[cH:83][cH:84][cH:85]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][N:11]([CH:12]([CH2:13][CH3:14])[c:15]1[n:16][n:17]2[c:18]([c:19](=[O:21])[n:20]1[CH2:81][c:80]1[cH:79][c:78]([F:77])[cH:85][cH:84][cH:83]1)[cH:22][cH:23][cH:24]2)[C:25]([c:26]1[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]1)=[O:33])=[O:34]