HRID196264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C2CCCN(C(=O)OCc3ccccc3)C2)n1

HCID58733285

Phenylmethyl 3-[2-amino-6-[[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]amino]-4-pyrimidinyl]-1-piperidinecarboxylate

C30H28FN7O3

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C2CCCNC2)n1

HCID58733356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0969cbb4d27a4184a011909925cbad66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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