HRID96385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

结构：COc1cc(F)c(C2CCN(C(=O)COC(C)=O)CC2)cc1I

HCID67065991

未命名化合物

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

HCID76598402

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C2CCN(C(=O)COC(C)=O)CC2)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178492913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6d10df5d5f64e899ca5eb86869f8713
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

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[c:15]([F:23])[cH:16][c:17]([O:21][CH3:22])[c:18]([I:20])[cH:19]2)[CH2:12][CH2:13]1.[CH4:24].[F:25][C:26]([c:27]1[cH:28][c:29]([CH:37]2[CH:38]([CH3:63])[N:39]([CH2:43][c:44]3[c:45]([B:54]4[O:55][C:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[O:62]4)[cH:46][cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]3)[C:40](=[O:42])[O:41]2)[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:64])[F:65]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[c:15]([F:23])[cH:16][c:17]([O:21][CH3:22])[c:18](-[c:45]3[c:44]([CH2:43][N:39]4[CH:38]([CH3:63])[CH:37]([c:29]5[cH:28][c:27]([C:26]([F:25])([F:64])[F:65])[cH:32][c:31]([C:33]([F:34])([F:35])[F:36])[cH:30]5)[O:41][C:40]4=[O:42])[cH:49][c:48]([C:50]([F:51])([F:52])[F:53])[cH:47][cH:46]3)[cH:19]2)[CH2:12][CH2:13]1