HRID1559069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9005

Trimethoxymethane

C4H10O3

HCID28123

Tetrahydroborate

H4B-

HCID81531

Diisopropylethylamine

C8H19N

HCID4187788

(tert-Butyldimethylsilyloxy)acetaldehyde

C8H18O2Si

结构：NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ccc(F)c(Cl)c4)c23)C1

HCID60205467

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCCNC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ccc(F)c(Cl)c4)c23)C1

HCID60205488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57efee8eccf440f491119b55712dbdc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:57].[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]=[O:9])([CH3:10])[CH3:11].[CH3:64][OH:65].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[CH:50]([O:51][CH3:52])([O:53][CH3:54])[O:55][CH3:56].[Cl:66][CH2:67][Cl:68].[ClH:12].[NH2:13][CH:14]1[CH2:15][N:16]([c:20]2[c:21]3[c:22]([n:23][cH:24][c:25]2[Br:26])[nH:27][cH:28][c:29]3[NH:30][C:31]([c:32]2[cH:33][c:34]([Cl:39])[c:35]([F:38])[cH:36][cH:37]2)=[O:40])[CH2:17][CH2:18][CH2:19]1.[Na+:58].[Na+:63].[O-:59][C:60]([OH:61])=[O:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][NH:13][CH:14]1[CH2:15][N:16]([c:20]2[c:21]3[c:22]([n:23][cH:24][c:25]2[Br:26])[nH:27][cH:28][c:29]3[NH:30][C:31]([c:32]2[cH:33][c:34]([Cl:39])[c:35]([F:38])[cH:36][cH:37]2)=[O:40])[CH2:17][CH2:18][CH2:19]1)([CH3:10])[CH3:11]