HRID1563897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：Clc1nc2ccc3nnc(-c4cnccn4)n3c2nc1-c1ccccc1

HCID57805479

未命名化合物

结构：CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1

HCID58326444

tert-Butyl {1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl}carbamate

C21H32BNO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccc5nnc(-c6cnccn6)n5c4nc3-c3ccccc3)cc2)CCC1

HCID57805478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e1274a351a5401198ba79db8e87024e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:54](=[O:55])([O-:56])[O-:57].[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]([C:41]3([NH:45][C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:42][CH2:43][CH2:44]3)[cH:39][cH:40]2)[O:53]1.[CH3:61][N:62]1[CH2:63][CH2:64][CH2:65][C:66]1=[O:67].[CH3:68][OH:69].[CH3:76][N:77]1[CH2:78][CH2:79][CH2:80][C:81]1=[O:82].[Cl:1][c:2]1[n:3][c:4]2[c:5]([n:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([cH:16][cH:17]2)[n:18][n:19][c:20]1-[c:21]1[n:22][cH:23][cH:24][n:25][cH:26]1.[K+:58].[K+:59].[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[OH2:60]>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]([C:41]3([NH:45][C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:42][CH2:43][CH2:44]3)[cH:39][cH:40]2)[n:3][c:4]2[c:5]([n:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([cH:16][cH:17]2)[n:18][n:19][c:20]1-[c:21]1[n:22][cH:23][cH:24][n:25][cH:26]1