HRID95586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID7961

Bromobenzene

C6H5Br

结构：COc1cc(C(=O)NCc2ccc(-c3noc(C)n3)cc2N)cc(OC)c1C

HCID69491883

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NCc2ccc(-c3noc(C)n3)cc2Nc2ccccc2)cc(OC)c1C

HCID69491548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7efe43af54e74545ac99630046766127
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:39].[Br:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][N+:56]([CH3:57])([CH3:58])[CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[K+:37].[NH2:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([c:7]2[cH:8][c:9]([O:16][CH3:17])[c:10]([CH3:15])[c:11]([O:13][CH3:14])[cH:12]2)=[O:18])[cH:19][cH:20][c:21](-[c:23]2[n:24][o:25][c:26]([CH3:28])[n:27]2)[cH:22]1.[OH-:36].[OH2:38]>>[NH:1]([c:2]1[c:3]([CH2:4][NH:5][C:6]([c:7]2[cH:8][c:9]([O:16][CH3:17])[c:10]([CH3:15])[c:11]([O:13][CH3:14])[cH:12]2)=[O:18])[cH:19][cH:20][c:21](-[c:23]2[n:24][o:25][c:26]([CH3:28])[n:27]2)[cH:22]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1