HRID1535426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID11033515

4-(benzoxazol-2-yl)benzyl bromide

C14H10BrNO

结构：OC12CC3CC(C1)C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C3)C2

HCID54395449

未命名化合物

PRODUCTS

生成物

结构：c1ccc(C(NC2C3CC4CC2CC(OCc2ccc(-c5nc6ccccc6o5)cc2)(C4)C3)(c2ccccc2)c2ccccc2)cc1

HCID15198019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9535b62f4c144a6fb8dc83626d6e763d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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