HRID2159184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

结构：CC1(C)OB(c2ccc3oc(=O)[nH]c3c2)OC1(C)C

HCID59568550

未命名化合物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(C#N)Cc2ccc(I)cc2)CCOCC1

HCID68430038

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(C#N)Cc2ccc(-c3ccc4oc(=O)[nH]c4c3)cc2)CCOCC1

HCID72328335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cd7d1857b1c4fb8adb3a182db1ab989
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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