HRID1121098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：OB(O)c1ccccc1-c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID10342745

2-(1-TRITYL-1H-TETRAZOL-5-YL)PHENYLBORONIC ACID

C26H21BN4O2

HCID58088907

未命名化合物

PRODUCTS

生成物

结构：CCCn1cc(C(=O)OCC)nc1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID67230227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dbf5c6e0b7d4161aec841865de2542e
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:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[n:41]1[n:42][n:43][n:44][c:45]1-[c:46]1[c:47]([B:52]([OH:53])[OH:54])[cH:48][cH:49][cH:50][cH:51]1.[C:55](=[O:56])([O-:57])[O-:58].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([CH2:14][c:15]2[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]2)[n:9]([CH2:11][CH2:12][CH3:13])[cH:10]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cs+:59].[Cs+:60].[OH2:68]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:47]3[c:46](-[c:45]4[n:41]([C:22]([c:23]5[cH:24][cH:25][cH:26][cH:27][cH:28]5)([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[n:42][n:43][n:44]4)[cH:51][cH:50][cH:49][cH:48]3)[cH:19][cH:20]2)[n:9]([CH2:11][CH2:12][CH3:13])[cH:10]1