HRID700513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID319440

1-Cyclohexenyl trifluoromethanesulfonate

C7H9F3O3S

结构：COc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

HCID22219703

[10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl][5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]methanone

C26H28BClN2O4

PRODUCTS

生成物

结构：COc1cc(C2=CCCCC2)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

HCID10137694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-837f650f3526470d9eb4cc6b3df9c020
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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