Bicarbonate Ion → Methyl 2-chloro-4-cyanobenzoate

HRID 150480

반응식

HRID 150480 반응식
[C-:28]#[N:29].[CH3:1][O:2][C:3]([c:4]1[c:5]([Cl:11])[cH:6][c:7]([NH2:10])[cH:8][cH:9]1)=[O:12].[Cu:25][C:26]#[N:27].[K+:30].[N:13]([O-:14])=[O:15].[N:17]([OH:18])=[O:19].[Na+:16].[Na+:24].[O-:20][C:21]([OH:22])=[O:23].[OH2:36].[S:31](=[O:32])(=[O:33])([OH:34])[OH:35]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([Cl:11])[cH:6][c:7]([C:26]#[N:27])[cH:8][cH:9]1)=[O:12]

참가 물질

11

반응물 10

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion2회HCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 5975CyanideHCID 24529Nitrous AcidHCID 11839197Methyl 4-Amino-2-chlorobenzoateHCID 178418546HCID 178418546, 화합물

생성물 1

HCID 53845357Methyl 2-chloro-4-cyanobenzoate

출처 및 근거

ORD 기록
ord-721542c4d2604e41a2ad79d9985f719b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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