HRID1551618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7934

3-Methylaniline

C7H9N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID28743231

未命名化合物

HCID66591522

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-n2cc(C(=O)NCC(=O)N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)c1

HCID57874376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-846a821f3f69442185505f8061059071
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:25][c:26]1[cH:27][c:28]([NH2:32])[cH:29][cH:30][cH:31]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:54][CH2:55][C:56](=[O:57])[N:58]1[CH2:59][CH2:60][CH:61]([O:64][c:65]2[c:66]([Cl:72])[cH:67][cH:68][c:69]([F:71])[cH:70]2)[CH2:62][CH2:63]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[c:10]1([CH3:24])[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[cH:13][cH:14][cH:15]1>>[c:10]1([CH3:24])[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:23])[NH:54][CH2:55][C:56](=[O:57])[N:58]3[CH2:59][CH2:60][CH:61]([O:64][c:65]4[c:66]([Cl:72])[cH:67][cH:68][c:69]([F:71])[cH:70]4)[CH2:62][CH2:63]3)[cH:20]2)[cH:13][cH:14][cH:15]1