HRID683582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID11032082

Ethyl 2-(bromomethyl)benzoate

C10H11BrO2

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(NC(=O)OC(C)(C)C)cc1

HCID69486797

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccccc1CN(C(=O)OC(C)(C)C)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

HCID69486607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e1bd1c3fb8044faa649a9f7e3bf4af9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][c:19]2[n:20][c:21](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[o:22][c:23]2[CH3:24])[cH:14][cH:15]1)=[O:31].[CH2:32]([CH3:33])[O:34][C:35]([c:36]1[c:37]([CH2:42][Br:43])[cH:38][cH:39][cH:40][cH:41]1)=[O:44].[CH3:45][S:46]([CH3:47])=[O:48].[K+:2].[OH-:1]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([N:9]([c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][c:19]2[n:20][c:21](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[o:22][c:23]2[CH3:24])[cH:14][cH:15]1)[CH2:42][c:37]1[c:36]([C:35]([O:34][CH2:32][CH3:33])=[O:44])[cH:41][cH:40][cH:39][cH:38]1)=[O:31]