Benzyl Alcohol → p-Toluenesulfonic acid

HRID 1115565Notes

Reaction equation

HRID 1115565 reaction equation
[CH2:32]([C:33]([C:34]([OH:35])=[O:36])([CH2:37][C:38]([N:39]([CH2:40][CH2:41][Cl:42])[CH2:43][CH2:44][Cl:45])([c:46]1[cH:47][cH:48][cH:49][c:50]([CH3:51])[cH:52]1)[C:53](=[O:54])[NH2:55])[NH:56][C:57]([O:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)=[O:65])[c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:8][C:9](=[O:10])[OH:11])[cH:5][cH:6][cH:7]1.[OH2:12].[OH:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[c:13]1([CH3:23])[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[OH:22])[cH:17][cH:18]1>>[NH2:1][c:2]1[cH:3][c:4]([CH2:8][C:9]([O:10][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[O:11])[cH:5][cH:6][cH:7]1.[c:13]1([CH3:23])[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[OH:22])[cH:17][cH:18]1

Participants

8

Sources & evidence

ORD record
ord-4b6c98bd7b24473ab19fa1f17898d95d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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