HRID1128325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID11231233

2-Amino-5-iodo-3-methylbenzoic Acid

C8H8INO2

结构：COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID59836092

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12

HCID57975802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-160f508b64dd47e7826b6460ff60240f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:47](=[O:48])([OH:49])[O-:50].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:69][C:70]#[N:71].[Cl:66][CH2:67][Cl:68].[NH2:35][c:36]1[c:37]([C:38](=[O:39])[OH:40])[cH:41][c:42]([I:46])[cH:43][c:44]1[CH3:45].[Na+:51].[OH2:65].[OH:52][C:53]([CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH2:59][C:60](=[O:61])[OH:62])[OH:63])=[O:64]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:12]3[n:13][cH:14][c:15](-[c:42]4[cH:41][c:37]([C:38](=[O:39])[OH:40])[c:36]([NH2:35])[c:44]([CH3:45])[cH:43]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1