HRID1221134

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

反应SMILES：O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1

HCID46207940

未命名化合物

反应SMILES：COC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID59351432

未命名化合物

PRODUCTS

产物

反应SMILES：COC1CC=C(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1

HCID59351310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4fb862d8fd4743518e1352874db7c906
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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