HRID183535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：CC1(C)CCC(C)(C)c2cc3cc(B(O)O)ccc3cc21

HCID19694676

未命名化合物

HCID21826247

Methyl 4-iodo-1-methyl-1H-pyrrole-2-carboxylate

C7H8INO2

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)cn1C

HCID19694675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8611e3ae5bc6481189419e6ba7d40ad0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:33](=[O:34])([O-:35])[O-:36].[CH3:12][C:13]1([CH3:32])[c:14]2[cH:15][c:16]3[cH:17][cH:18][c:19]([B:29]([OH:30])[OH:31])[cH:20][c:21]3[cH:22][c:23]2[C:24]([CH3:27])([CH3:28])[CH2:25][CH2:26]1.[CH3:1][n:2]1[c:3]([C:8](=[O:9])[O:10][CH3:11])[cH:4][c:5]([I:7])[cH:6]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[K+:37].[K+:38]>>[CH3:1][n:2]1[c:3]([C:8](=[O:9])[O:10][CH3:11])[cH:4][c:5](-[c:19]2[cH:18][cH:17][c:16]3[cH:15][c:14]4[c:23]([cH:22][c:21]3[cH:20]2)[C:24]([CH3:27])([CH3:28])[CH2:25][CH2:26][C:13]4([CH3:12])[CH3:32])[cH:6]1