HRID1237033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID11505

4-Methylbenzyl alcohol

C8H10O

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COC2Cc3ccccc3C2)CC1

HCID10181578

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(COCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1

HCID10113203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be2382db70964d57a0959cc2f372401e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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