HRID2142011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)nc(C)n2)cc1

HCID59548404

未命名化合物

反应SMILES：CC(c1cnc(F)c(B(O)O)c1)N1CCN(C(=O)OC(C)(C)C)CC1

HCID66600473

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cnc3F)nc(C)n2)cc1

HCID77151662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-062589db0d5d48b787bd17cf362edca0
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:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][N:38]([CH:41]([CH3:42])[c:43]2[cH:44][c:45]([B:50]([OH:51])[OH:52])[c:46]([F:49])[n:47][cH:48]2)[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1.[K+:57].[O-:53][C:54]([CH3:55])=[O:56].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[OH2:64]>>[c:2]1(-[c:45]2[cH:44][c:43]([CH:41]([N:38]3[CH2:37][CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:40][CH2:39]3)[CH3:42])[cH:48][n:47][c:46]2[F:49])[cH:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1