HRID95268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66598752

未命名化合物

结构：CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CBr)CC1

HCID86647193

未命名化合物

PRODUCTS

生成物

结构：CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3cnc4c(c3)OCCO4)C2=O)CC1

HCID72327300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90e3e2c1e5ed480d95f34af15c082875
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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