Acetic Acid → HCID 69116012, compound

HRID 180063Notes

Reaction equation

HRID 180063 reaction equation
[CH2:50]([Cl:51])[Cl:52].[CH3:1][C:2]([OH:3])=[O:4].[CH:5]1([N:6]=[C:7]=[N:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[NH2:20][CH2:21][CH:22]=[CH:23][c:24]1[cH:25][c:26]2[c:27]([NH:34][c:35]3[cH:36][c:37]([Cl:49])[c:38]([O:41][c:42]4[cH:43][n:44][c:45]([CH3:48])[cH:46][cH:47]4)[cH:39][cH:40]3)[n:28][cH:29][n:30][c:31]2[cH:32][cH:33]1>>[CH3:1][C:2](=[O:4])[NH:20][CH2:21][CH:22]=[CH:23][c:24]1[cH:25][c:26]2[c:27]([NH:34][c:35]3[cH:36][c:37]([Cl:49])[c:38]([O:41][c:42]4[cH:43][n:44][c:45]([CH3:48])[cH:46][cH:47]4)[cH:39][cH:40]3)[n:28][cH:29][n:30][c:31]2[cH:32][cH:33]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 69116439HCID 69116439, compound

Product 1

HCID 69116012HCID 69116012, compound

Sources & evidence

ORD record
ord-35e92274d3354d5f9856525f58d5006c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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