HRID1149910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11379587

3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzdiazepin-2-one

C14H19N3O

结构：CN(C)CCNc1c(F)cccc1C1SC(CC(=O)O)C(=O)N1CCC(C)(C)C

HCID76601992

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNc1c(F)cccc1C1SC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N1CCC(C)(C)C

HCID178483751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e49cf8684104457089dbc008ce2c513e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:1][N:2]([CH2:3][CH2:4][NH:5][c:6]1[c:7]([CH:13]2[S:14][CH:15]([CH2:25][C:26](=[O:27])[OH:28])[C:16](=[O:24])[N:17]2[CH2:18][CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:8][cH:9][cH:10][c:11]1[F:12])[CH3:29].[NH:30]1[CH2:31][CH2:32][CH:33]([N:36]2[C:37](=[O:47])[NH:38][c:39]3[c:40]([cH:43][cH:44][cH:45][cH:46]3)[CH2:41][CH2:42]2)[CH2:34][CH2:35]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:52][n:53]1[c:54]2[c:55]([cH:56][cH:57][cH:58][cH:59]2)[n:60][n:61]1>>[CH3:1][N:2]([CH2:3][CH2:4][NH:5][c:6]1[c:7]([CH:13]2[S:14][CH:15]([CH2:25][C:26](=[O:27])[N:30]3[CH2:31][CH2:32][CH:33]([N:36]4[C:37](=[O:47])[NH:38][c:39]5[c:40]([cH:43][cH:44][cH:45][cH:46]5)[CH2:41][CH2:42]4)[CH2:34][CH2:35]3)[C:16](=[O:24])[N:17]2[CH2:18][CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:8][cH:9][cH:10][c:11]1[F:12])[CH3:29]