HRID159449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(N)(CO)c1ccc2c(C3CC3)c(OC3CCC(C(C)(C)C)CC3)ccc2c1

HCID67412843

未命名化合物

结构：Cc1c(OC2CCC(C(C)(C)C)CC2)ccc2cc(C3(C)COC(=O)N3)ccc12

HCID67413943

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OC2CCC(C(C)(C)C)CC2)ccc2cc(C(C)(N)CO)ccc12

HCID67413967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9779597e0d14317bfb9d72b3a45d47a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:30]([CH:31]1[CH2:32][CH2:33][CH:34]([O:35][c:36]2[c:37]([CH3:38])[c:39]3[c:40]([cH:41][cH:42]2)[cH:43][c:44]([C:45]2([CH3:46])[CH2:47][O:48][C:49](=[O:50])[NH:51]2)[cH:52][cH:53]3)[CH2:54][CH2:55]1)([CH3:56])([CH3:57])[CH3:58].[NH2:1][C:2]([CH2:3][OH:4])([CH3:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([O:19][CH:20]3[CH2:21][CH2:22][CH:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:24][CH2:25]3)[c:12]([CH:16]3[CH2:17][CH2:18]3)[c:13]2[cH:14][cH:15]1>>[NH2:1][C:2]([CH2:3][OH:4])([CH3:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([O:19][CH:20]3[CH2:21][CH2:22][CH:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:24][CH2:25]3)[c:12]([CH3:16])[c:13]2[cH:14][cH:15]1