HRID156467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID88638

Benzimidazolone

C12H15N3O

结构：Cc1ccc(S(=O)(=O)OC2CCC(c3ccccc3)(c3ccccc3)CC2)cc1

HCID20366912

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2ccccc2n1C1CCN(C2CCC(c3ccccc3)(c3ccccc3)CC2)CC1

HCID20366887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e08b30f850d49b28f25f9be5f3e2a26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[I-:53].[K+:50].[K+:51].[K+:52].[NH:30]1[CH2:31][CH2:32][CH:33]([n:36]2[c:37](=[O:45])[nH:38][c:39]3[c:40]2[cH:41][cH:42][cH:43][cH:44]3)[CH2:34][CH2:35]1.[O:1]([S:2]([c:3]1[cH:4][cH:5][c:6]([CH3:7])[cH:8][cH:9]1)(=[O:10])=[O:11])[CH:12]1[CH2:13][CH2:14][C:15]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:16][CH2:17]1.[OH2:54]>>[CH:12]1([N:30]2[CH2:31][CH2:32][CH:33]([n:36]3[c:37](=[O:45])[nH:38][c:39]4[c:40]3[cH:41][cH:42][cH:43][cH:44]4)[CH2:34][CH2:35]2)[CH2:13][CH2:14][C:15]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:16][CH2:17]1