HRID320872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8002

1-Bromobutane

C4H9Br

HCID67435

1,4-Dioxa-8-azaspiro(4.5)decane

C7H13NO2

HCID12262820

1-butylpiperidin-4-amine

C9H20N2

结构：COc1cccc2c(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c(C(=O)O)cnc12

HCID15289772

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCC(NC(=O)c2cnc3c(OC)cccc3c2Nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)CC1

HCID19918423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c576181a26d4fc583a70e9014bc4ca3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]([NH:16][c:17]3[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH:26]4[CH2:27][CH2:28][N:29]([CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:30][CH2:31]4)[cH:21][cH:22]3)[c:9]([C:13](=[O:14])[OH:15])[cH:10][n:11][c:12]12.[NH2:39][CH:40]1[CH2:41][CH2:42][N:43]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:44][CH2:45]1.[O:55]1[C:56]2([CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[O:62][CH2:63][CH2:64]1.[OH2:65]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]([NH:16][c:17]3[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH:26]4[CH2:27][CH2:28][N:29]([CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:30][CH2:31]4)[cH:21][cH:22]3)[c:9]([C:13](=[O:15])[NH:39][CH:40]3[CH2:41][CH2:42][N:43]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:44][CH2:45]3)[cH:10][n:11][c:12]12