HRID945002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5126

2-Amino-1-propanol

C3H9NO

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：Cc1ccc(C(=O)O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Br)c1=O

HCID21089275

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC(C)CO)cc1-n1cnc(OCc2ccc(F)cc2F)c(Br)c1=O

HCID21088998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-317debf5a41a40689862535d19beb8bc
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([O:19][CH2:20][c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:4][cH:5][n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][c:17]2[CH3:18])[c:7]1=[O:8].[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[CH3:65][C:66]#[N:67].[Cl:29][C:30]([O:31][CH2:32][CH:33]([CH3:34])[CH3:35])=[O:36].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[NH2:44][CH:45]([CH2:46][OH:47])[CH3:48].[OH2:68]>>[Br:1][c:2]1[c:3]([O:19][CH2:20][c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:4][cH:5][n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:14])[NH:44][CH:45]([CH2:46][OH:47])[CH3:48])[cH:15][cH:16][c:17]2[CH3:18])[c:7]1=[O:8]