HRID2316175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

HCID28557

18-Crown-6

C12H24O6

HCID166653

Hydride

H-

结构：N#CC1CC2(c3ccccc3)C(OC(CO)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID88039642

未命名化合物

PRODUCTS

生成物

结构：N#CC1CC2(c3ccccc3)C(OC(COCc3ccccc3)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID88039036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cf664559e2946c4a32a143c235f77a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:10]([O:18][CH:19]([CH2:20][OH:21])[c:22]3[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]3)[CH2:11][CH2:12][CH:13]1[CH:14]([C:16]#[N:17])[CH2:15]2.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[H-:68].[Na+:69].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55][O:56][CH2:57][CH2:58][O:59][CH2:60][CH2:61][O:62][CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[OH2:75]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:10]([O:18][CH:19]([CH2:20][O:21][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:22]3[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]3)[CH2:11][CH2:12][CH:13]1[CH:14]([C:16]#[N:17])[CH2:15]2