HRID2123714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID7519

Anisole

C7H8O

结构：O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1

HCID10322760

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(O)cc1

HCID10340129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8ce4152370a4a51a7d14c6f259f4777
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

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