Acetic Acid → HCID 44601108, compound

HRID 1139623Notes

Reaction equation

HRID 1139623 reaction equation
[CH3:38][CH2:39][OH:40].[CH3:41][C:42](=[O:43])[OH:44].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][c:11]([F:33])[c:12](-[c:15]2[s:16][c:17]3[n:18][c:19]([C:24]4([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[CH2:25][CH2:26]4)[cH:20][cH:21][c:22]3[n:23]2)[cH:13][cH:14]1.[Cl:45][CH2:46][Cl:47].[NH2:34][C:35](=[S:36])[NH2:37]>>[NH2:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][c:11]([F:33])[c:12](-[c:15]2[s:16][c:17]3[n:18][c:19]([C:24]4([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[CH2:25][CH2:26]4)[cH:20][cH:21][c:22]3[n:23]2)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 6344DichloromethaneHCID 2723790ThioureaHCID 67112027HCID 67112027, compound

Product 1

HCID 44601108HCID 44601108, compound

Sources & evidence

ORD record
ord-d281b383d8cf4cff8939f27936ea77f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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