Acetate → HCID 22709662, compound

HRID 1211904Notes

Reaction equation

HRID 1211904 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:41][C:42](=[O:43])[O-:44].[CH3:48][CH2:49][OH:50].[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([S:13](=[O:14])(=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[c:24]4[cH:25][c:26]5[c:31]([s:32]4)[CH2:30][CH2:29][NH:28][CH2:27]5)[CH2:20][CH2:21]3)[cH:9][c:10]2[cH:11][cH:12]1.[Cl:51][CH2:52][Cl:53].[ClH:1].[N:45]#[C:46][Br:47].[Na+:40]>>[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([S:13](=[O:14])(=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[c:24]4[cH:25][c:26]5[c:31]([s:32]4)[CH2:30][CH2:29][N:28]([C:34]#[N:35])[CH2:27]5)[CH2:20][CH2:21]3)[cH:9][c:10]2[cH:11][cH:12]1

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 10476Cyanogen BromideHCID 11398145HCID 11398145, compound

Product 1

HCID 22709662HCID 22709662, compound

Sources & evidence

ORD record
ord-4d0b2140436243549ed5aeaec5d09850
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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