HRID1553539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

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

结构：Brc1c(-c2ccccc2)nc2n1-c1cccnc1Nc1ccccc1-2

HCID67503013

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1

HCID69087617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d863e90cff3441cfa6a147413f5d9e88
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

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