Acetic Acid → HCID 66778141, compound

HRID 1205922Notes

Reaction equation

HRID 1205922 reaction equation
[Br:1][c:2]1[c:3]([C:13](=[O:14])[CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[o:4][c:5]2[c:6]1[cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]2.[C:32](=[O:33])([O-:34])[OH:35].[C:37]([BH3-:38])#[N:39].[CH2:55]([Cl:56])[Cl:57].[CH3:51][C:52](=[O:53])[OH:54].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cl-:46].[Cl-:48].[Cl-:49].[Cl-:50].[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]1.[Na+:36].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[Ti+4:47]>>[Br:1][c:2]1[c:3]([CH:13]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]2)[o:4][c:5]2[c:6]1[cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]2

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 312Chloride4×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 12082Methyl 4-aminobenzoateHCID 114942Titanium cation (4+)HCID 498716Cyano-borohydrideHCID 66777025HCID 66777025, compound

Product 1

HCID 66778141HCID 66778141, compound

Sources & evidence

ORD record
ord-e064cc1de17e4259bcd0e5f045e0d08a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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