HRID1137508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15891

Phenyl carbonochloridate

C7H5ClO2

结构：CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cc(Oc3ccc(N)c(Cl)c3)ccn2)CC1

HCID22936879

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3)ccn2)CC1

HCID67202218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f20d709807a43678147c6ac38302abe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[NH2:11][c:12]1[c:13]([Cl:42])[cH:14][c:15]([O:16][c:17]2[cH:18][c:19]([NH:23][C:24]([CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)=[O:39])[n:20][cH:21][cH:22]2)[cH:40][cH:41]1.[OH2:54].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][c:12]1[c:13]([Cl:42])[cH:14][c:15]([O:16][c:17]2[cH:18][c:19]([NH:23][C:24]([CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)=[O:39])[n:20][cH:21][cH:22]2)[cH:40][cH:41]1