HRID2153599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：COc1ccc(COC(=O)C(C2CCCCC2)N2CC(CN3CCC(CCC(F)(F)c4ccccc4)CC3)C(c3ccccc3)C2)cc1

HCID178491534

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(C1CCCCC1)N1CC(CN2CCC(CCC(F)(F)c3ccccc3)CC2)C(c2ccccc2)C1

HCID21180753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63e526fde04741ce98ecd2000b509dbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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