HRID124016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID11379587

3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzdiazepin-2-one

C14H19N3O

结构：COC(=O)C(CC(=O)[O-])Cc1cc(C)c(OCc2ccccc2)c(OC)c1

HCID178500560

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1)Cc1cc(C)c(OCc2ccccc2)c(OC)c1

HCID69064945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e099d3bd32b402da15be07ff6ccd49f
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

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