HRID183990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

HCID14306

Isoquinoline, 3-methyl-

C10H9N

HCID28123

Tetrahydroborate

H4B-

结构：Cc1cc2ccccc2c(-c2ccc(C(F)(F)F)cc2)[n+]1Cc1ccccc1

HCID57625482

未命名化合物

HCID68497495

未命名化合物

HCID178506199

未命名化合物

PRODUCTS

生成物

HCID59536282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae517cf919fd4f57b2b40081e9f12b13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH4-:88].[Br-:20].[Br:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[N:39]1[CH:40]([c:50]2[cH:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[CH:47]=[C:48]1[CH3:49].[CH2:60]([n+:61]1[c:62]([CH3:63])[cH:64][c:65]2[c:66]([cH:67][cH:68][cH:69][cH:70]2)[c:71]1-[c:72]1[cH:73][cH:74][c:75]([C:76]([F:77])([F:78])[F:79])[cH:80][cH:81]1)[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH2:92]1[O:93][CH2:94][CH2:95][CH2:96]1.[CH3:1][c:2]1[n:3][cH:4][c:5]2[c:6]([cH:7]1)[cH:8][cH:9][cH:10][cH:11]2.[CH3:97][C:98](=[O:99])[OH:100].[F:21][C:22]([F:23])([F:24])[c:25]1[cH:26][cH:27][c:28]([Mg+:29])[cH:30][cH:31]1.[Na+:89].[Na+:91].[OH-:90]>>[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[N:39]1[CH:40]([c:50]2[cH:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[CH2:47][CH:48]1[CH3:49]