Benzoic Acid → Benzoate

반응식

[Cl:10][c:11]1[cH:12][n:13][c:14]([NH:29][C:30](=[NH:31])[NH2:32])[c:15]2[cH:16][c:17](-[c:21]3[cH:22][c:23]([C:27]#[N:28])[cH:24][cH:25][cH:26]3)[cH:18][cH:19][c:20]12.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[Cl:10][c:11]1[cH:12][n:13][c:14]([NH2+:29][C:30](=[NH:31])[NH2:32])[c:15]2[cH:16][c:17](-[c:21]3[cH:22][c:23]([C:27]#[N:28])[cH:24][cH:25][cH:26]3)[cH:18][cH:19][c:20]12.[O:1]=[C:2]([O-:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1

참가 물질

반응물 2

HCID 243Benzoic Acid

HCID 178509681HCID 178509681, 화합물

생성물 2

HCID 242Benzoate

HCID 178509683HCID 178509683, 화합물

출처 및 근거

ORD 기록: ord-5ec277acc4ef414aa7ca7664cdc0d545
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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