HRID2314156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81033

4-Benzyloxyphenylacetic acid

C15H14O3

结构：C[N+](C)(CCCN)CCNC(=O)c1nc(Cl)c(N)nc1N

HCID86656638

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：C[N+](C)(CCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N

HCID44546942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74fdf4be88ab4809ab1a86fc336fa4a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:1].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][c:31]1[cH:32][cH:33][c:34]([CH2:37][C:38](=[O:39])[OH:40])[cH:35][cH:36]1.[CH3:41][N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[CH:48]1([N:49]=[C:50]=[N:51][CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[NH2:2][CH2:3][CH2:4][CH2:5][N+:6]([CH3:7])([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][c:16]([Cl:22])[c:17]([NH2:21])[n:18][c:19]1[NH2:20].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:63][n:64]1[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[Br-:1].[NH:2]([CH2:3][CH2:4][CH2:5][N+:6]([CH3:7])([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][c:16]([Cl:22])[c:17]([NH2:21])[n:18][c:19]1[NH2:20])[C:38]([CH2:37][c:34]1[cH:33][cH:32][c:31]([O:30][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:36][cH:35]1)=[O:39]