HRID201188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID78072

Quinoline-4-carbaldehyde

C10H7NO

HCID3613128

1-(BENZYLOXY)-4-BROMO-2-METHOXYBENZENE

C14H13BrO2

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(O)c2ccnc3ccccc23)ccc1OCc1ccccc1

HCID21459134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d9bd193ae824b188a3af763478ba634
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([Li:2])([CH3:3])([CH3:4])[CH3:5].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][c:14]1[c:15]([O:21][CH3:22])[cH:16][c:17]([Br:20])[cH:18][cH:19]1.[CH3:41][C:42](=[O:43])[OH:44].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:35].[n:23]1[cH:24][cH:25][c:26]([CH:33]=[O:34])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][c:14]1[c:15]([O:21][CH3:22])[cH:16][c:17]([CH:33]([c:26]2[cH:25][cH:24][n:23][c:32]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[OH:34])[cH:18][cH:19]1