HRID1126768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID31374

Dimethylacetamide

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID270655

Boc-DL-valine

C10H19NO4

结构：Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21

HCID10127622

Selumetinib

C17H15BrClFN4O3

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCCONC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(Br)cc1Cl

HCID86592879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b39423e505e74970bd3e0867b1f73d8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:34](=[O:35])([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[NH:41][CH:42]([CH:43]([CH3:44])[CH3:45])[C:46](=[O:47])[OH:48].[CH3:1][C:2]([N:3]([CH3:4])[CH3:5])=[O:6].[OH2:59].[OH2:60].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1.[OH:7][CH2:8][CH2:9][O:10][NH:11][C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([n:18][cH:19][n:20]2[CH3:21])[c:22]([F:33])[c:23]1[NH:24][c:25]1[c:26]([Cl:32])[cH:27][c:28]([Br:31])[cH:29][cH:30]1>>[O:7]([CH2:8][CH2:9][O:10][NH:11][C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([n:18][cH:19][n:20]2[CH3:21])[c:22]([F:33])[c:23]1[NH:24][c:25]1[c:26]([Cl:32])[cH:27][c:28]([Br:31])[cH:29][cH:30]1)[C:46]([CH:42]([NH:41][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH:43]([CH3:44])[CH3:45])=[O:47]