Isopropanol → 2-Naphthalenesulfonic acid

HRID 307777

반응식

HRID 307777 반응식
[CH:47]([OH:48])([CH3:49])[CH3:50].[NH2:1][c:2]1[c:3]([NH:8][C:9]([CH:10]=[CH:11][c:12]2[cH:13][n:14]([S:17](=[O:18])(=[O:19])[c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][n:28][n:29]([CH3:31])[cH:30]4)[cH:24][cH:25]3)[cH:15][cH:16]2)=[O:32])[cH:4][cH:5][cH:6][cH:7]1.[OH:33][S:34](=[O:35])(=[O:36])[c:37]1[cH:38][cH:39][c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[cH:46]1>>[NH2:1][c:2]1[c:3]([NH:8][C:9]([CH:10]=[CH:11][c:12]2[cH:13][n:14]([S:17](=[O:18])(=[O:19])[c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][n:28][n:29]([CH3:31])[cH:30]4)[cH:24][cH:25]3)[cH:15][cH:16]2)=[O:32])[cH:4][cH:5][cH:6][cH:7]1.[O:33]=[S:34](=[O:35])([OH:36])[c:37]1[cH:38][cH:39][c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[cH:46]1

참가 물질

5

반응물 3

HCID 3776IsopropanolHCID 84202-Naphthalenesulfonic acidHCID 67095441HCID 67095441, 화합물

생성물 2

HCID 84202-Naphthalenesulfonic acidHCID 67095441HCID 67095441, 화합물

출처 및 근거

ORD 기록
ord-d39648c49ca2480fa91b6b2da422d529
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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