Water → HCID 15077430, compound

HRID 290931Notes

Reaction equation

HRID 290931 reaction equation
[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:1][O:2][C:3]([CH2:4][CH2:5][SH:6])=[O:7].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:55][CH:56]([CH3:57])[O-:58].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:63][CH:64]([CH3:65])[O-:66].[O:13]1[CH:14]([C:15](=[O:16])[OH:17])[CH:18]1[c:19]1[c:20]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][cH:23][cH:24]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43].[Ti+4:54]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][S:6][CH:18]([CH:14]([OH:13])[C:15](=[O:16])[OH:17])[c:19]1[c:20]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][cH:23][cH:24]1)=[O:7]

Participants

9

Reactant 8

HCID 962WaterHCID 1118Sulfuric AcidHCID 8028TetrahydrofuranHCID 18050Methyl 3-mercaptopropionateHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 21470352HCID 21470352, compoundHCID 178418339Butyllithium

Product 1

HCID 15077430HCID 15077430, compound

Sources & evidence

ORD record
ord-7c280e901cf24aeaa9d5a0916fbf1277
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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