HRID1136549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31374

Dimethylacetamide

C4H9NO

HCID93237

Methyl 2,6-dichloroisonicotinate

C7H5Cl2NO2

结构：CC(c1cccc2ccccc12)N(CC1CCNCC1c1ccccc1)C(=O)OC(C)(C)C

HCID72536010

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cl)nc(N2CCC(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3ccccc3)C2)c1

HCID178498050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205796fdfca242598377efc938de94f5
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH:10]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:11][NH:12][CH2:13][CH2:14]1)[CH:21]([CH3:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)=[O:33].[CH3:54][C:55]([N:56]([CH3:57])[CH3:58])=[O:59].[Cl:34][c:35]1[cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][c:43]([Cl:45])[n:44]1.[K+:51].[K+:52].[K+:53].[OH2:60].[P:46]([O-:47])([O-:48])([O-:49])=[O:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH:10]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:11][N:12]([c:43]2[cH:42][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:36][c:35]([Cl:34])[n:44]2)[CH2:13][CH2:14]1)[CH:21]([CH3:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)=[O:33]