2-Mercaptoethanol → HCID 86597707, compound

HRID 190175Notes

Reaction equation

HRID 190175 reaction equation
[Cl:47][CH2:48][Cl:49].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[c:19](-[c:31]3[c:32]([CH3:38])[cH:33][c:34]([F:37])[cH:35][cH:36]3)[cH:20][c:21]([N:24]3[CH2:25][CH2:26][C:27](=[O:30])[CH2:28][CH2:29]3)[n:22][cH:23]2)([CH3:39])[CH3:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42].[SH:43][CH2:44][CH2:45][OH:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[c:19](-[c:31]3[c:32]([CH3:38])[cH:33][c:34]([F:37])[cH:35][cH:36]3)[cH:20][c:21]([N:24]3[CH2:25][CH2:26][C:27]4([CH2:28][CH2:29]3)[O:30][CH2:45][CH2:44][S:43]4)[n:22][cH:23]2)([CH3:39])[CH3:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42]

Participants

4

Sources & evidence

ORD record
ord-f251817e9bea41378f18d65f77e8aafc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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