Acetic Acid → HCID 178506163, compound

HRID 201430Notes

Reaction equation

HRID 201430 reaction equation
[CH3:85][C:86](=[O:87])[OH:88].[Cl:1][c:2]1[c:3]([CH2:4][O:5][CH2:6][CH:7]2[CH2:8][c:9]3[c:10]([n:11]([C:14]([c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:12][n:13]3)[CH2:33][CH2:34]2)[cH:35][cH:36][cH:37][c:38]1[C:39]([F:40])([F:41])[F:42].[Cl:43][c:44]1[c:45]([C:46]([F:47])([F:48])[F:49])[cH:50][cH:51][cH:52][c:53]1[CH2:54][O:55][CH2:56][CH:57]1[CH2:58][CH2:59][c:60]2[n:61][cH:62][n:63]([C:64]([c:65]3[cH:66][cH:67][cH:68][cH:69][cH:70]3)([c:71]3[cH:72][cH:73][cH:74][cH:75][cH:76]3)[c:77]3[cH:78][cH:79][cH:80][cH:81][cH:82]3)[c:83]2[CH2:84]1.[OH2:89]>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][CH2:6][CH:7]2[CH2:8][c:9]3[c:10]([nH:11][cH:12][n:13]3)[CH2:33][CH2:34]2)[cH:35][cH:36][cH:37][c:38]1[C:39]([F:40])([F:41])[F:42]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23001243HCID 23001243, compoundHCID 23001258HCID 23001258, compound

Product 1

HCID 178506163HCID 178506163, compound

Sources & evidence

ORD record
ord-1506f7f13a534e9199c007a851860b71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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