HRID1141301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID667551

未命名化合物

结构：O=C(NCC(F)(F)C(F)(F)F)C1(CCCCBr)c2ccccc2-c2ccccc21

HCID22636275

未命名化合物

PRODUCTS

生成物

结构：Cn1c(N2CCN(CCCCC3(C(=O)NCC(F)(F)C(F)(F)F)c4ccccc4-c4ccccc43)CC2)nc2ccccc21

HCID22636348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7445ce516ef74741a28d8292174f38fa
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

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