HRID168488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID56945962

未命名化合物

结构：Cc1cc(-c2ccccc2N(C)S(C)(=O)=O)n2nc(O)ncc12

HCID178422626

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

HCID56945846

4-[3-Methoxy-4-[[5-methyl-7-[2-[methyl(methylsulfonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-1-piperidineacetamide

C29H35N7O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bfdf1a37400405a92336d896b023f20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[NH2:33][c:34]1[c:35]([O:50][CH3:51])[cH:36][c:37]([CH:40]2[CH2:41][CH2:42][N:43]([CH2:46][C:47](=[O:48])[NH2:49])[CH2:44][CH2:45]2)[cH:38][cH:39]1.[OH:1][c:2]1[n:3][n:4]2[c:5]([cH:6][n:7]1)[c:8]([CH3:23])[cH:9][c:10]2-[c:11]1[c:12]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[cH:13][cH:14][cH:15][cH:16]1>>[c:2]1([NH:33][c:34]2[c:35]([O:50][CH3:51])[cH:36][c:37]([CH:40]3[CH2:41][CH2:42][N:43]([CH2:46][C:47](=[O:48])[NH2:49])[CH2:44][CH2:45]3)[cH:38][cH:39]2)[n:3][n:4]2[c:5]([cH:6][n:7]1)[c:8]([CH3:23])[cH:9][c:10]2-[c:11]1[c:12]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[cH:13][cH:14][cH:15][cH:16]1