HRID1123678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2795511

tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate

C15H21IN2O2

HCID16123381

未命名化合物

PRODUCTS

生成物

结构：CCn1c(=O)c(-c2nccs2)cc2c(C)nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc21

HCID57606982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e064bb96bf544a8db9f6bd6794372bd4
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

[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][N:31]([c:34]2[cH:35][cH:36][c:37]([I:40])[cH:38][cH:39]2)[CH2:32][CH2:33]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[NH2:1][c:2]1[n:3][c:4]([CH3:20])[c:5]2[c:6]([n:7]1)[n:8]([CH2:18][CH3:19])[c:9](=[O:17])[c:10](-[c:12]1[s:13][cH:14][cH:15][n:16]1)[cH:11]2>>[NH:1]([c:2]1[n:3][c:4]([CH3:20])[c:5]2[c:6]([n:7]1)[n:8]([CH2:18][CH3:19])[c:9](=[O:17])[c:10](-[c:12]1[s:13][cH:14][cH:15][n:16]1)[cH:11]2)[c:37]1[cH:36][cH:35][c:34]([N:31]2[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]2)[cH:39][cH:38]1