HRID1136866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID16762519

Ethyl 5,6-dichloropyridine-3-carboxylate

C8H7Cl2NO2

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：CCOC(=O)c1cnc(N2CCC(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3ccccc3)C2)c(Cl)c1

HCID178469808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4ecdbab679e4f8f9cd4ea9e5e7a7ca8
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].[C:47](=[O:48])([O-:49])[O-:50].[CH3:53][S:54]([CH3:55])=[O:56].[Cl:34][c:35]1[c:36]([Cl:46])[n:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:45]1.[K+:51].[K+:52].[OH2:57]>>[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:36]2[c:35]([Cl:34])[cH:45][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:38][n:37]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]