HRID955430

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：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2c(C(=O)O)n(C)c3ccccc23)n1

HCID57444424

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：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2c(C(=O)N(CC3CC3)CC3CC3)n(C)c3ccccc23)n1

HCID23729330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-328230f7c6aa4dbe8b09fdf17087fea6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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