HRID2152236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

结构：CCOC(=O)CC1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4ccccc4C(F)(F)F)c3[nH]2)S1

HCID59135730

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc2cc(C3=NCC(CCO)S3)[nH]c12)S(=O)(=O)c1ccccc1C(F)(F)F

HCID57503216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed8018ab00cf463b9e62cb463fb9d6ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:36].[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[S:13]3)[nH:10][c:11]12)[S:23](=[O:24])(=[O:25])[c:26]1[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]1.[CH3:56][OH:57].[Li+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][CH2:18][OH:19])[S:13]3)[nH:10][c:11]12)[S:23](=[O:24])(=[O:25])[c:26]1[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]1