HRID2156175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N#Cc1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2C(=O)C(F)(F)F

HCID57839255

未命名化合物

结构：O=C(N1C2CCC1CC(C1c3ccccc3Oc3cc(-c4nnn[nH]4)ccc31)C2)C(F)(F)F

HCID178521660

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2

HCID57839270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a0dda37b4494da18e54cccc8b4b54b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[F:1][C:2]([F:3])([F:4])[C:29]([N:5]1[CH:6]2[CH2:7][CH:8]([CH:13]3[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[O:20][c:21]4[cH:22][c:23]([C:27]#[N:28])[cH:24][cH:25][c:26]43)[CH2:9][CH:10]1[CH2:11][CH2:12]2)=[O:30].[F:31][C:32]([F:33])([F:34])[C:35]([N:36]1[CH:37]2[CH2:38][CH2:39][CH:40]1[CH2:41][CH:42]([CH:43]1[c:44]3[cH:45][cH:46][c:47](-[c:48]4[nH:49][n:50][n:51][n:52]4)[cH:53][c:54]3[O:55][c:56]3[c:57]1[cH:58][cH:59][cH:60][cH:61]3)[CH2:62]2)=[O:63]>>[NH:5]1[CH:6]2[CH2:7][CH:8]([CH:13]3[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[O:20][c:21]4[cH:22][c:23]([C:27]#[N:28])[cH:24][cH:25][c:26]43)[CH2:9][CH:10]1[CH2:11][CH2:12]2