Acetic Acid → HCID 178520550, compound

HRID 1233730Notes

Reaction equation

HRID 1233730 reaction equation
[CH3:85][C:86](=[O:87])[OH:88].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[NH:13][CH2:14][CH:15]2[CH2:16][c:17]3[c:18]([n:19]([C:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:20][n:21]3)[CH2:41][CH2:42]2)[cH:6][cH:7]1.[Cl:43][c:44]1[cH:45][cH:46][c:47]([CH2:48][CH2:49][CH2:50][C:51]([NH:52][CH2:53][CH:54]2[CH2:55][CH2:56][c:57]3[n:58][cH:59][n:60]([C:61]([c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)([c:68]4[cH:69][cH:70][cH:71][cH:72][cH:73]4)[c:74]4[cH:75][cH:76][cH:77][cH:78][cH:79]4)[c:80]3[CH2:81]2)=[O:82])[cH:83][cH:84]1.[OH2:89]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[NH:13][CH2:14][CH:15]2[CH2:16][c:17]3[c:18]([nH:19][cH:20][n:21]3)[CH2:41][CH2:42]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23512743HCID 23512743, compoundHCID 23512826HCID 23512826, compound

Product 1

HCID 178520550HCID 178520550, compound

Sources & evidence

ORD record
ord-6a0227c8b5fe425e8a33a87b4f447dcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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