HRID1238396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(N)C(=O)O)cc1

HCID18376304

未命名化合物

HCID18376369

未命名化合物

PRODUCTS

生成物

结构：CC(=CC(=O)c1ccc(F)c(F)c1F)NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O

HCID178450187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70c34bb3dfaf42b784cd89820a3b1254
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:51][OH:52].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:28][c:29]1[c:30]([C:37]([C:38]#[C:39][CH3:40])=[O:41])[cH:31][cH:32][c:33]([F:36])[c:34]1[F:35].[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1>>[NH:1]([CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1)[C:39](=[CH:38][C:37]([c:30]1[c:29]([F:28])[c:34]([F:35])[c:33]([F:36])[cH:32][cH:31]1)=[O:41])[CH3:40]