HRID1559014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

HCID15284719

未命名化合物

结构：CCCn1c(C(=O)O)c(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2ccccc21

HCID57444425

未命名化合物

结构：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2c(C(=O)O)[nH]c3ccccc23)n1

HCID57444459

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(C(=O)N(CC2CC2)CC2CC2)c(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2ccccc21

HCID23729331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55fe9cad8526466ab1e2b4a6f57b0fa7
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

[CH2:83]([NH:84][CH2:85][CH3:86])[CH3:87].[CH:39]1([CH2:42][NH:43][CH2:44][CH:45]2[CH2:46][CH2:47]2)[CH2:40][CH2:41]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([C:27](=[O:28])[OH:29])[n:17]([CH2:24][CH2:25][CH3:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[F:48][C:49]([F:50])([F:51])[c:52]1[cH:53][c:54]([CH2:62][N:63]([CH2:64][c:65]2[c:66]3[c:67]([cH:68][cH:69][cH:70][cH:71]3)[nH:72][c:73]2[C:74]([OH:75])=[O:76])[c:77]2[n:78][n:79][n:80]([CH3:81])[n:82]2)[cH:55][c:56]([C:57]([F:58])([F:59])[F:60])[cH:61]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([C:27](=[O:29])[N:43]([CH2:42][CH:39]3[CH2:40][CH2:41]3)[CH2:44][CH:45]3[CH2:46][CH2:47]3)[n:17]([CH2:24][CH2:25][CH3:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38]