HRID691947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID81184

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

C9H16N2

HCID123414

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)O)cnc3Nc3cnc(OC)c(F)c3)n2)cc1

HCID66611227

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N=[N+]=[N-])cnc3Nc3cnc(OC)c(F)c3)n2)cc1

HCID86647075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55c903fbdc154a3da7e4ecb75d67c520
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[cH:17][c:18]([CH:32]([CH3:33])[OH:34])[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:30][CH3:31])[c:27]([F:29])[cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[cH:44][cH:45]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH3:83][CH2:84][O:85][C:86]([CH3:87])=[O:88].[N:65]12[CH2:66][CH2:67][CH2:68][N:69]=[C:70]1[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]2.[P:46]([O:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)([O:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)(=[O:61])[N:62]=[N+:63]=[N-:64]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[cH:17][c:18]([CH:32]([CH3:33])[N:62]=[N+:63]=[N-:64])[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:30][CH3:31])[c:27]([F:29])[cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[cH:44][cH:45]1