HRID153157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID153404

1,2-Benzenediamine, 4-methoxy- (9CI)

C7H10N2O

结构：CN(CCN1CCC(n2nc(C(F)(F)F)cc2C(=O)O)CC1)C(=O)OC(C)(C)C

HCID59843214

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N)c(NC(=O)c2cc(C(F)(F)F)nn2C2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)c1

HCID59843143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21e16439b4c14e5cb19ced6d4fcdaffd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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